N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-2-morpholin-4-ylpyrimidine-4-carboxamide

C19H29N5O3 — CID 154866563

IUPACN-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCC1(C)C(NC(=O)c2ccnc(N3CCOCC3)n2)CC1N1CCOCC1
InChIInChI=1S/C19H29N5O3/c1-19(2)15(13-16(19)23-5-9-26-10-6-23)22-17(25)14-3-4-20-18(21-14)24-7-11-27-12-8-24/h3-4,15-16H,5-13H2,1-2H3,(H,22,25)
InChIKeyQCFBMWCVZNWIPA-UHFFFAOYSA-N
MW375.47 g/mol
LogP0.54
Rot. Bonds4

About N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-2-morpholin-4-ylpyrimidine-4-carboxamide

N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 154866563) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID154866563
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC NameN-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCC1(C)C(NC(=O)c2ccnc(N3CCOCC3)n2)CC1N1CCOCC1
InChIInChI=1S/C19H29N5O3/c1-19(2)15(13-16(19)23-5-9-26-10-6-23)22-17(25)14-3-4-20-18(21-14)24-7-11-27-12-8-24/h3-4,15-16H,5-13H2,1-2H3,(H,22,25)
InChIKeyQCFBMWCVZNWIPA-UHFFFAOYSA-N
XLogP0.54
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N'-methoxy-N'-methyl-2-morpholin-4-ylpyrimidine-4-carbohydrazide
CID 87482379
N-(3,5-dimethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300420
N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300438
1-(2-morpholin-4-ylpyrimidin-4-yl)propan-1-one
CID 170035961
N-(4-tert-butylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300433
N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300337
methyl 4-[(2-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
CID 109300468
N-(2,5-diethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 136554886
N-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300487
N-(1-methylbenzimidazol-2-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 139022042
N-cyclopentyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109298035
[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109298958

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 154866563) is N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-2-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-2-morpholin-4-ylpyrimidine-4-carboxamide is CC1(C)C(NC(=O)c2ccnc(N3CCOCC3)n2)CC1N1CCOCC1.
What is the InChIKey of N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is QCFBMWCVZNWIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-19(2)15(13-16(19)23-5-9-26-10-6-23)22-17(25)14-3-4-20-18(21-14)24-7-11-27-12-8-24/h3-4,15-16H,5-13H2,1-2H3,(H,22,25).
What are the key properties of N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 154866563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).