[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-cyclobutylmethanone

C16H24N4O — CID 118546922

IUPAC[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-cyclobutylmethanone
SMILESCC(C)(C)c1cc(NC2CN(C(=O)C3CCC3)C2)ncn1
InChIInChI=1S/C16H24N4O/c1-16(2,3)13-7-14(18-10-17-13)19-12-8-20(9-12)15(21)11-5-4-6-11/h7,10-12H,4-6,8-9H2,1-3H3,(H,17,18,19)
InChIKeySERBEHUWNXKWNM-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.20
Rot. Bonds3

About [3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-cyclobutylmethanone

[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-cyclobutylmethanone (PubChem CID 118546922) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is [3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-cyclobutylmethanone
PubChem CID118546922
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-cyclobutylmethanone
SMILESCC(C)(C)c1cc(NC2CN(C(=O)C3CCC3)C2)ncn1
InChIInChI=1S/C16H24N4O/c1-16(2,3)13-7-14(18-10-17-13)19-12-8-20(9-12)15(21)11-5-4-6-11/h7,10-12H,4-6,8-9H2,1-3H3,(H,17,18,19)
InChIKeySERBEHUWNXKWNM-UHFFFAOYSA-N
XLogP2.20
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-tert-butyl-N-cyclopropylpyrimidin-4-amine
CID 126849020
4-[(6-tert-butylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide
CID 126724613
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
6-tert-butyl-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 126724583
2-[[6-(cyclobutylamino)pyrimidin-4-yl]amino]-2-methylpropanoic acid
CID 115264300
N-methyl-3-[(6-methylpyrimidin-4-yl)amino]azetidine-1-carboxamide
CID 118553740
3-tert-butyl-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-1,2-oxazole-5-sulfonamide
CID 166308849
(4S)-1-[6-[[1-(cyclobutanecarbonyl)azetidin-3-yl]amino]pyrimidin-4-yl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one
CID 160520928
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone
CID 126887514
[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-(4-methylcyclohexyl)methanone
CID 126888429
cyclobutyl-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 130267519
N-[6-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]acetamide
CID 175800552

Frequently Asked Questions

What is the IUPAC name of [3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-cyclobutylmethanone?
The IUPAC name of [3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-cyclobutylmethanone (CID 118546922) is [3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-cyclobutylmethanone is CC(C)(C)c1cc(NC2CN(C(=O)C3CCC3)C2)ncn1.
What is the InChIKey of [3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-cyclobutylmethanone?
The InChIKey is SERBEHUWNXKWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-16(2,3)13-7-14(18-10-17-13)19-12-8-20(9-12)15(21)11-5-4-6-11/h7,10-12H,4-6,8-9H2,1-3H3,(H,17,18,19).
What are the key properties of [3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-cyclobutylmethanone?
[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-cyclobutylmethanone has a molecular weight of 288.39 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 118546922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).