2-butyl-3-[2-methyl-4-(pyrrolidin-3-ylamino)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride

C23H29ClN4O — CID 68853916

IUPAC2-butyl-3-[2-methyl-4-(pyrrolidin-3-ylamino)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCCCCc1nc2ccccn2c(=O)c1-c1ccc(NC2CCNC2)cc1C.Cl
InChIInChI=1S/C23H28N4O.ClH/c1-3-4-7-20-22(23(28)27-13-6-5-8-21(27)26-20)19-10-9-17(14-16(19)2)25-18-11-12-24-15-18;/h5-6,8-10,13-14,18,24-25H,3-4,7,11-12,15H2,1-2H3;1H
InChIKeyYKVWVDZLCISPKI-UHFFFAOYSA-N
MW412.97 g/mol
LogP4.21
Rot. Bonds6

About 2-butyl-3-[2-methyl-4-(pyrrolidin-3-ylamino)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride

2-butyl-3-[2-methyl-4-(pyrrolidin-3-ylamino)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 68853916) has the molecular formula C23H29ClN4O and a molecular weight of 412.97 g/mol. Its IUPAC name is 2-butyl-3-[2-methyl-4-(pyrrolidin-3-ylamino)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name2-butyl-3-[2-methyl-4-(pyrrolidin-3-ylamino)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID68853916
Molecular FormulaC23H29ClN4O
Molecular Weight412.97 g/mol
Exact Mass412.20
IUPAC Name2-butyl-3-[2-methyl-4-(pyrrolidin-3-ylamino)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCCCCc1nc2ccccn2c(=O)c1-c1ccc(NC2CCNC2)cc1C.Cl
InChIInChI=1S/C23H28N4O.ClH/c1-3-4-7-20-22(23(28)27-13-6-5-8-21(27)26-20)19-10-9-17(14-16(19)2)25-18-11-12-24-15-18;/h5-6,8-10,13-14,18,24-25H,3-4,7,11-12,15H2,1-2H3;1H
InChIKeyYKVWVDZLCISPKI-UHFFFAOYSA-N
XLogP4.21
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.97
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-butyl-3-[2-methyl-4-(pyrrolidin-3-ylamino)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride with MolForge

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Related Compounds

2-butyl-3-[4-[[(3S)-pyrrolidin-3-yl]amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 68854548
2-(3-methylbutyl)-3-[4-[[(3R)-pyrrolidin-3-yl]amino]phenyl]pyrido[1,2-a]pyrimidin-4-one
CID 24995931
2-(2-cyclopropylethyl)-3-[4-[[(3R)-pyrrolidin-3-yl]amino]phenyl]pyrido[1,2-a]pyrimidin-4-one
CID 24995932
2-butyl-3-[4-[[(3R)-pyrrolidin-3-yl]amino]phenyl]-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 69324372
2-butyl-3-[4-[[(3R)-pyrrolidin-3-yl]amino]phenyl]-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 24995622
2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 68857495
[4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]carbamic acid
CID 68854322
2-butyl-3-[4-(1H-pyrrol-3-ylamino)phenyl]pyrido[1,2-a]pyrimidin-4-one
CID 141214870
(3R)-N-(4-ethyl-3-methylphenyl)pyrrolidin-3-amine
CID 71052306
(2S)-1-[4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 24993747
N-(3-butyl-4-methylphenyl)piperidin-4-amine
CID 69343774
4-(2-butylimidazo[1,2-a]pyridin-3-yl)-2-methylbenzoic acid;hydrochloride
CID 67717536

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-[2-methyl-4-(pyrrolidin-3-ylamino)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 2-butyl-3-[2-methyl-4-(pyrrolidin-3-ylamino)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 68853916) is 2-butyl-3-[2-methyl-4-(pyrrolidin-3-ylamino)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 2-butyl-3-[2-methyl-4-(pyrrolidin-3-ylamino)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 2-butyl-3-[2-methyl-4-(pyrrolidin-3-ylamino)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride is CCCCc1nc2ccccn2c(=O)c1-c1ccc(NC2CCNC2)cc1C.Cl.
What is the InChIKey of 2-butyl-3-[2-methyl-4-(pyrrolidin-3-ylamino)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is YKVWVDZLCISPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O.ClH/c1-3-4-7-20-22(23(28)27-13-6-5-8-21(27)26-20)19-10-9-17(14-16(19)2)25-18-11-12-24-15-18;/h5-6,8-10,13-14,18,24-25H,3-4,7,11-12,15H2,1-2H3;1H.
What are the key properties of 2-butyl-3-[2-methyl-4-(pyrrolidin-3-ylamino)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
2-butyl-3-[2-methyl-4-(pyrrolidin-3-ylamino)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 412.97 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-[2-methyl-4-(pyrrolidin-3-ylamino)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 68853916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).