7-chloro-2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C15H15ClN4O2 — CID 47026029

IUPAC7-chloro-2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(CN(C)Cc2cc(=O)n3cc(Cl)ccc3n2)no1
InChIInChI=1S/C15H15ClN4O2/c1-10-5-13(18-22-10)9-19(2)8-12-6-15(21)20-7-11(16)3-4-14(20)17-12/h3-7H,8-9H2,1-2H3
InChIKeyYVCBQVGNXLSAEQ-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.28
Rot. Bonds4

About 7-chloro-2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

7-chloro-2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 47026029) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is 7-chloro-2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID47026029
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name7-chloro-2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(CN(C)Cc2cc(=O)n3cc(Cl)ccc3n2)no1
InChIInChI=1S/C15H15ClN4O2/c1-10-5-13(18-22-10)9-19(2)8-12-6-15(21)20-7-11(16)3-4-14(20)17-12/h3-7H,8-9H2,1-2H3
InChIKeyYVCBQVGNXLSAEQ-UHFFFAOYSA-N
XLogP2.28
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 47026029) is 7-chloro-2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cc(CN(C)Cc2cc(=O)n3cc(Cl)ccc3n2)no1.
What is the InChIKey of 7-chloro-2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YVCBQVGNXLSAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c1-10-5-13(18-22-10)9-19(2)8-12-6-15(21)20-7-11(16)3-4-14(20)17-12/h3-7H,8-9H2,1-2H3.
What are the key properties of 7-chloro-2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 318.76 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 47026029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).