2-chloro-9-methyl-3-[[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C18H23ClN4O2 — CID 56710295

IUPAC2-chloro-9-methyl-3-[[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)c(CN(CC3CCC(=O)N3)C(C)C)c(Cl)nc12
InChIInChI=1S/C18H23ClN4O2/c1-11(2)22(9-13-6-7-15(24)20-13)10-14-16(19)21-17-12(3)5-4-8-23(17)18(14)25/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H,20,24)
InChIKeyHPJJCOYFHYBORK-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.15
Rot. Bonds5

About 2-chloro-9-methyl-3-[[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-chloro-9-methyl-3-[[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 56710295) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 2-chloro-9-methyl-3-[[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-chloro-9-methyl-3-[[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID56710295
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name2-chloro-9-methyl-3-[[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)c(CN(CC3CCC(=O)N3)C(C)C)c(Cl)nc12
InChIInChI=1S/C18H23ClN4O2/c1-11(2)22(9-13-6-7-15(24)20-13)10-14-16(19)21-17-12(3)5-4-8-23(17)18(14)25/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H,20,24)
InChIKeyHPJJCOYFHYBORK-UHFFFAOYSA-N
XLogP2.15
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-methyl-3-[[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-chloro-9-methyl-3-[[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 56710295) is 2-chloro-9-methyl-3-[[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-chloro-9-methyl-3-[[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-chloro-9-methyl-3-[[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)c(CN(CC3CCC(=O)N3)C(C)C)c(Cl)nc12.
What is the InChIKey of 2-chloro-9-methyl-3-[[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HPJJCOYFHYBORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-11(2)22(9-13-6-7-15(24)20-13)10-14-16(19)21-17-12(3)5-4-8-23(17)18(14)25/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H,20,24).
What are the key properties of 2-chloro-9-methyl-3-[[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-chloro-9-methyl-3-[[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 362.86 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-methyl-3-[[(5-oxopyrrolidin-2-yl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 56710295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).