6-amino-7-(2-methylpyrimidin-4-yl)-1-propan-2-ylazepan-2-one

C14H22N4O — CID 115529149

IUPAC6-amino-7-(2-methylpyrimidin-4-yl)-1-propan-2-ylazepan-2-one
SMILESCc1nccc(C2C(N)CCCC(=O)N2C(C)C)n1
InChIInChI=1S/C14H22N4O/c1-9(2)18-13(19)6-4-5-11(15)14(18)12-7-8-16-10(3)17-12/h7-9,11,14H,4-6,15H2,1-3H3
InChIKeyYLMMAHKGVADFHP-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.57
Rot. Bonds2

About 6-amino-7-(2-methylpyrimidin-4-yl)-1-propan-2-ylazepan-2-one

6-amino-7-(2-methylpyrimidin-4-yl)-1-propan-2-ylazepan-2-one (PubChem CID 115529149) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 6-amino-7-(2-methylpyrimidin-4-yl)-1-propan-2-ylazepan-2-one.

Molecular Properties

Compound Name6-amino-7-(2-methylpyrimidin-4-yl)-1-propan-2-ylazepan-2-one
PubChem CID115529149
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name6-amino-7-(2-methylpyrimidin-4-yl)-1-propan-2-ylazepan-2-one
SMILESCc1nccc(C2C(N)CCCC(=O)N2C(C)C)n1
InChIInChI=1S/C14H22N4O/c1-9(2)18-13(19)6-4-5-11(15)14(18)12-7-8-16-10(3)17-12/h7-9,11,14H,4-6,15H2,1-3H3
InChIKeyYLMMAHKGVADFHP-UHFFFAOYSA-N
XLogP1.57
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[2-methyl-6-(1-propan-2-ylpiperidin-2-yl)pyrimidin-4-yl]propanamide
CID 118739827
N-methyl-3-[2-methyl-6-(1-methylpiperidin-2-yl)pyrimidin-4-yl]propanamide
CID 118739828
(1S*,6R*)-9-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 56865698
1-Methyl-5-({[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]amino}methyl)pyrrolidin-2-one
CID 56867761
(1S*,5R*)-3-(4-isopropylpyrimidin-2-yl)-3,9-diazabicyclo[3.3.2]decan-10-one
CID 72911563
N-cyclooctyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide
CID 124752568
N,N-diethyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide
CID 124754240
3-[1-(azepan-1-yl)-2-methylpropan-2-yl]-1-methyl-1-[(1S)-1-pyrimidin-4-ylethyl]urea
CID 125439004
1-[(6S)-6-fluoro-6-methyl-1,4-diazepan-1-yl]-3-pyrimidin-4-ylpropan-1-one
CID 164638513
N-[1-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]acetamide
CID 66910965
2-(2-aminopyrimidin-4-yl)-N-(6-fluorohex-5-en-3-yl)acetamide
CID 123535457
2-Methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1,4-diazepan-5-one
CID 56881052

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(2-methylpyrimidin-4-yl)-1-propan-2-ylazepan-2-one?
The IUPAC name of 6-amino-7-(2-methylpyrimidin-4-yl)-1-propan-2-ylazepan-2-one (CID 115529149) is 6-amino-7-(2-methylpyrimidin-4-yl)-1-propan-2-ylazepan-2-one.
What is the SMILES notation for 6-amino-7-(2-methylpyrimidin-4-yl)-1-propan-2-ylazepan-2-one?
The canonical SMILES for 6-amino-7-(2-methylpyrimidin-4-yl)-1-propan-2-ylazepan-2-one is Cc1nccc(C2C(N)CCCC(=O)N2C(C)C)n1.
What is the InChIKey of 6-amino-7-(2-methylpyrimidin-4-yl)-1-propan-2-ylazepan-2-one?
The InChIKey is YLMMAHKGVADFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-9(2)18-13(19)6-4-5-11(15)14(18)12-7-8-16-10(3)17-12/h7-9,11,14H,4-6,15H2,1-3H3.
What are the key properties of 6-amino-7-(2-methylpyrimidin-4-yl)-1-propan-2-ylazepan-2-one?
6-amino-7-(2-methylpyrimidin-4-yl)-1-propan-2-ylazepan-2-one has a molecular weight of 262.36 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(2-methylpyrimidin-4-yl)-1-propan-2-ylazepan-2-one is sourced from PubChem (CID 115529149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).