[4-(dimethylamino)azepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone

C14H23N5O — CID 56882588

IUPAC[4-(dimethylamino)azepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone
SMILESCNc1ncc(C(=O)N2CCCC(N(C)C)CC2)cn1
InChIInChI=1S/C14H23N5O/c1-15-14-16-9-11(10-17-14)13(20)19-7-4-5-12(6-8-19)18(2)3/h9-10,12H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyFLOQIYUXGDDYNW-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.07
Rot. Bonds3

About [4-(dimethylamino)azepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone

[4-(dimethylamino)azepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone (PubChem CID 56882588) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is [4-(dimethylamino)azepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)azepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone
PubChem CID56882588
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name[4-(dimethylamino)azepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone
SMILESCNc1ncc(C(=O)N2CCCC(N(C)C)CC2)cn1
InChIInChI=1S/C14H23N5O/c1-15-14-16-9-11(10-17-14)13(20)19-7-4-5-12(6-8-19)18(2)3/h9-10,12H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyFLOQIYUXGDDYNW-UHFFFAOYSA-N
XLogP1.07
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(dimethylamino)azepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone with MolForge

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Related Compounds

[(3R)-1-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95212920
N,N-dimethyl-6-[(3S)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]pyridine-3-carboxamide
CID 95834324
N-[4-[4-(dimethylamino)azepane-1-carbonyl]phenyl]acetamide
CID 136536271
[(4S)-4-(dimethylamino)azepan-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 100636861
(3,5-dichloro-4-methylphenyl)-[(4S)-4-(dimethylamino)azepan-1-yl]methanone
CID 95712034
(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]methanone
CID 95726966
[(4R)-4-(dimethylamino)azepan-1-yl]-pyridin-2-ylmethanone
CID 95710719
[4-(dimethylamino)piperidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 104640276
[4-[(4-chlorophenoxy)methyl]piperidin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone
CID 46978998
[2-(cycloheptylamino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 109250708
[3-(dimethylamino)piperidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 104641657
[4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 62169915

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)azepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone?
The IUPAC name of [4-(dimethylamino)azepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone (CID 56882588) is [4-(dimethylamino)azepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)azepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone?
The canonical SMILES for [4-(dimethylamino)azepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone is CNc1ncc(C(=O)N2CCCC(N(C)C)CC2)cn1.
What is the InChIKey of [4-(dimethylamino)azepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone?
The InChIKey is FLOQIYUXGDDYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-15-14-16-9-11(10-17-14)13(20)19-7-4-5-12(6-8-19)18(2)3/h9-10,12H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of [4-(dimethylamino)azepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone?
[4-(dimethylamino)azepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone has a molecular weight of 277.37 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)azepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 56882588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).