azepan-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone

C14H22N4O — CID 109294810

IUPACazepan-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone
SMILESCCCNc1nccc(C(=O)N2CCCCCC2)n1
InChIInChI=1S/C14H22N4O/c1-2-8-15-14-16-9-7-12(17-14)13(19)18-10-5-3-4-6-11-18/h7,9H,2-6,8,10-11H2,1H3,(H,15,16,17)
InChIKeyZMECNEQIBLMOPQ-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.31
Rot. Bonds4

About azepan-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone

azepan-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone (PubChem CID 109294810) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is azepan-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone
PubChem CID109294810
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Nameazepan-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone
SMILESCCCNc1nccc(C(=O)N2CCCCCC2)n1
InChIInChI=1S/C14H22N4O/c1-2-8-15-14-16-9-7-12(17-14)13(19)18-10-5-3-4-6-11-18/h7,9H,2-6,8,10-11H2,1H3,(H,15,16,17)
InChIKeyZMECNEQIBLMOPQ-UHFFFAOYSA-N
XLogP2.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

piperidin-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone
CID 109294729
[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298408
piperidin-1-yl-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109295917
[2-(dipropylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298477
4-[2-(butylamino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109296322
azepan-1-yl-[2-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109303309
piperidin-1-yl-[6-(propylamino)-2-pyridinyl]methanone
CID 62239787
[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298426
(4-ethylpiperazin-1-yl)-[2-(2-methoxyethylamino)pyrimidin-4-yl]methanone
CID 109299609
4-[2-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 109297701
[2-(3-methylbutylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302252
[2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298407

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone?
The IUPAC name of azepan-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone (CID 109294810) is azepan-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for azepan-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for azepan-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone is CCCNc1nccc(C(=O)N2CCCCCC2)n1.
What is the InChIKey of azepan-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone?
The InChIKey is ZMECNEQIBLMOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-8-15-14-16-9-7-12(17-14)13(19)18-10-5-3-4-6-11-18/h7,9H,2-6,8,10-11H2,1H3,(H,15,16,17).
What are the key properties of azepan-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone?
azepan-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone has a molecular weight of 262.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109294810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).