6-tert-butyl-N-(3-morpholin-4-ylcyclobutyl)pyrimidin-4-amine;cyclopropyl-[3-[[2-(2-methylbutan-2-yl)-4-pyridinyl]amino]azetidin-1-yl]methanone;molecular hydrogen

C33H55N7O2 — CID 144656028

IUPAC6-tert-butyl-N-(3-morpholin-4-ylcyclobutyl)pyrimidin-4-amine;cyclopropyl-[3-[[2-(2-methylbutan-2-yl)-4-pyridinyl]amino]azetidin-1-yl]methanone;molecular hydrogen
SMILESCC(C)(C)c1cc(NC2CC(N3CCOCC3)C2)ncn1.CCC(C)(C)c1cc(NC2CN(C(=O)C3CC3)C2)ccn1.[H][H].[H][H]
InChIInChI=1S/C17H25N3O.C16H26N4O.2H2/c1-4-17(2,3)15-9-13(7-8-18-15)19-14-10-20(11-14)16(21)12-5-6-12;1-16(2,3)14-10-15(18-11-17-14)19-12-8-13(9-12)20-4-6-21-7-5-20;;/h7-9,12,14H,4-6,10-11H2,1-3H3,(H,18,19);10-13H,4-9H2,1-3H3,(H,17,18,19);2*1H
InChIKeySPKFCWPGVRYNRH-UHFFFAOYSA-N
MW581.85 g/mol
LogP5.34
Rot. Bonds8

About 6-tert-butyl-N-(3-morpholin-4-ylcyclobutyl)pyrimidin-4-amine;cyclopropyl-[3-[[2-(2-methylbutan-2-yl)-4-pyridinyl]amino]azetidin-1-yl]methanone;molecular hydrogen

6-tert-butyl-N-(3-morpholin-4-ylcyclobutyl)pyrimidin-4-amine;cyclopropyl-[3-[[2-(2-methylbutan-2-yl)-4-pyridinyl]amino]azetidin-1-yl]methanone;molecular hydrogen (PubChem CID 144656028) has the molecular formula C33H55N7O2 and a molecular weight of 581.85 g/mol. Its IUPAC name is 6-tert-butyl-N-(3-morpholin-4-ylcyclobutyl)pyrimidin-4-amine;cyclopropyl-[3-[[2-(2-methylbutan-2-yl)-4-pyridinyl]amino]azetidin-1-yl]methanone;molecular hydrogen.

Molecular Properties

Compound Name6-tert-butyl-N-(3-morpholin-4-ylcyclobutyl)pyrimidin-4-amine;cyclopropyl-[3-[[2-(2-methylbutan-2-yl)-4-pyridinyl]amino]azetidin-1-yl]methanone;molecular hydrogen
PubChem CID144656028
Molecular FormulaC33H55N7O2
Molecular Weight581.85 g/mol
Exact Mass581.44
IUPAC Name6-tert-butyl-N-(3-morpholin-4-ylcyclobutyl)pyrimidin-4-amine;cyclopropyl-[3-[[2-(2-methylbutan-2-yl)-4-pyridinyl]amino]azetidin-1-yl]methanone;molecular hydrogen
SMILESCC(C)(C)c1cc(NC2CC(N3CCOCC3)C2)ncn1.CCC(C)(C)c1cc(NC2CN(C(=O)C3CC3)C2)ccn1.[H][H].[H][H]
InChIInChI=1S/C17H25N3O.C16H26N4O.2H2/c1-4-17(2,3)15-9-13(7-8-18-15)19-14-10-20(11-14)16(21)12-5-6-12;1-16(2,3)14-10-15(18-11-17-14)19-12-8-13(9-12)20-4-6-21-7-5-20;;/h7-9,12,14H,4-6,10-11H2,1-3H3,(H,18,19);10-13H,4-9H2,1-3H3,(H,17,18,19);2*1H
InChIKeySPKFCWPGVRYNRH-UHFFFAOYSA-N
XLogP5.34
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.85
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-tert-butyl-N-(3-morpholin-4-ylcyclobutyl)pyrimidin-4-amine;cyclopropyl-[3-[[2-(2-methylbutan-2-yl)-4-pyridinyl]amino]azetidin-1-yl]methanone;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-cyclobutylmethanone
CID 118546922
cyclopropyl-[3-[(2-propan-2-yl-4-pyridinyl)amino]azetidin-1-yl]methanone
CID 130369595
2-tert-butyl-N-(oxetan-3-yl)pyridin-4-amine
CID 126724591
6-tert-butyl-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 126724583
4-[(6-tert-butylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide
CID 126724613
N-(2-tert-butyl-4-pyridinyl)-2-morpholin-4-ylacetamide
CID 110444182
6-tert-butyl-N-cyclopropylpyrimidin-4-amine
CID 126849020
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone
CID 126887514
N-(2-tert-butyl-4-pyridinyl)-2-morpholin-4-ylpropanamide
CID 110446322
cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone
CID 175863488
N-[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]-4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxamide
CID 59143333
2,6-dimethyl-N-(3-morpholin-4-ylcyclobutyl)pyrimidin-4-amine
CID 126823280

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-(3-morpholin-4-ylcyclobutyl)pyrimidin-4-amine;cyclopropyl-[3-[[2-(2-methylbutan-2-yl)-4-pyridinyl]amino]azetidin-1-yl]methanone;molecular hydrogen?
The IUPAC name of 6-tert-butyl-N-(3-morpholin-4-ylcyclobutyl)pyrimidin-4-amine;cyclopropyl-[3-[[2-(2-methylbutan-2-yl)-4-pyridinyl]amino]azetidin-1-yl]methanone;molecular hydrogen (CID 144656028) is 6-tert-butyl-N-(3-morpholin-4-ylcyclobutyl)pyrimidin-4-amine;cyclopropyl-[3-[[2-(2-methylbutan-2-yl)-4-pyridinyl]amino]azetidin-1-yl]methanone;molecular hydrogen.
What is the SMILES notation for 6-tert-butyl-N-(3-morpholin-4-ylcyclobutyl)pyrimidin-4-amine;cyclopropyl-[3-[[2-(2-methylbutan-2-yl)-4-pyridinyl]amino]azetidin-1-yl]methanone;molecular hydrogen?
The canonical SMILES for 6-tert-butyl-N-(3-morpholin-4-ylcyclobutyl)pyrimidin-4-amine;cyclopropyl-[3-[[2-(2-methylbutan-2-yl)-4-pyridinyl]amino]azetidin-1-yl]methanone;molecular hydrogen is CC(C)(C)c1cc(NC2CC(N3CCOCC3)C2)ncn1.CCC(C)(C)c1cc(NC2CN(C(=O)C3CC3)C2)ccn1.[H][H].[H][H].
What is the InChIKey of 6-tert-butyl-N-(3-morpholin-4-ylcyclobutyl)pyrimidin-4-amine;cyclopropyl-[3-[[2-(2-methylbutan-2-yl)-4-pyridinyl]amino]azetidin-1-yl]methanone;molecular hydrogen?
The InChIKey is SPKFCWPGVRYNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O.C16H26N4O.2H2/c1-4-17(2,3)15-9-13(7-8-18-15)19-14-10-20(11-14)16(21)12-5-6-12;1-16(2,3)14-10-15(18-11-17-14)19-12-8-13(9-12)20-4-6-21-7-5-20;;/h7-9,12,14H,4-6,10-11H2,1-3H3,(H,18,19);10-13H,4-9H2,1-3H3,(H,17,18,19);2*1H.
What are the key properties of 6-tert-butyl-N-(3-morpholin-4-ylcyclobutyl)pyrimidin-4-amine;cyclopropyl-[3-[[2-(2-methylbutan-2-yl)-4-pyridinyl]amino]azetidin-1-yl]methanone;molecular hydrogen?
6-tert-butyl-N-(3-morpholin-4-ylcyclobutyl)pyrimidin-4-amine;cyclopropyl-[3-[[2-(2-methylbutan-2-yl)-4-pyridinyl]amino]azetidin-1-yl]methanone;molecular hydrogen has a molecular weight of 581.85 g/mol, XLogP of 5.34, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-(3-morpholin-4-ylcyclobutyl)pyrimidin-4-amine;cyclopropyl-[3-[[2-(2-methylbutan-2-yl)-4-pyridinyl]amino]azetidin-1-yl]methanone;molecular hydrogen is sourced from PubChem (CID 144656028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).