2-(cyclopentylamino)-3-[(cyclopentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride

C19H27ClN4O — CID 53353603

IUPAC2-(cyclopentylamino)-3-[(cyclopentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCl.O=c1c(CNC2CCCC2)c(NC2CCCC2)nc2ccccn12
InChIInChI=1S/C19H26N4O.ClH/c24-19-16(13-20-14-7-1-2-8-14)18(21-15-9-3-4-10-15)22-17-11-5-6-12-23(17)19;/h5-6,11-12,14-15,20-21H,1-4,7-10,13H2;1H
InChIKeyNHECRESQHYTRDA-UHFFFAOYSA-N
MW362.91 g/mol
LogP3.50
Rot. Bonds5

About 2-(cyclopentylamino)-3-[(cyclopentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride

2-(cyclopentylamino)-3-[(cyclopentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 53353603) has the molecular formula C19H27ClN4O and a molecular weight of 362.91 g/mol. Its IUPAC name is 2-(cyclopentylamino)-3-[(cyclopentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name2-(cyclopentylamino)-3-[(cyclopentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID53353603
Molecular FormulaC19H27ClN4O
Molecular Weight362.91 g/mol
Exact Mass362.19
IUPAC Name2-(cyclopentylamino)-3-[(cyclopentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCl.O=c1c(CNC2CCCC2)c(NC2CCCC2)nc2ccccn12
InChIInChI=1S/C19H26N4O.ClH/c24-19-16(13-20-14-7-1-2-8-14)18(21-15-9-3-4-10-15)22-17-11-5-6-12-23(17)19;/h5-6,11-12,14-15,20-21H,1-4,7-10,13H2;1H
InChIKeyNHECRESQHYTRDA-UHFFFAOYSA-N
XLogP3.50
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.91
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-3-[(cyclopentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 2-(cyclopentylamino)-3-[(cyclopentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 53353603) is 2-(cyclopentylamino)-3-[(cyclopentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 2-(cyclopentylamino)-3-[(cyclopentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 2-(cyclopentylamino)-3-[(cyclopentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride is Cl.O=c1c(CNC2CCCC2)c(NC2CCCC2)nc2ccccn12.
What is the InChIKey of 2-(cyclopentylamino)-3-[(cyclopentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is NHECRESQHYTRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O.ClH/c24-19-16(13-20-14-7-1-2-8-14)18(21-15-9-3-4-10-15)22-17-11-5-6-12-23(17)19;/h5-6,11-12,14-15,20-21H,1-4,7-10,13H2;1H.
What are the key properties of 2-(cyclopentylamino)-3-[(cyclopentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
2-(cyclopentylamino)-3-[(cyclopentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 362.91 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-3-[(cyclopentylamino)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 53353603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).