2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one

C18H25N7O2 — CID 136954024

IUPAC2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
SMILESCOc1ccnc(CN2CCN(c3nc4c(c(=O)[nH]3)CCCN4C)CC2)n1
InChIInChI=1S/C18H25N7O2/c1-23-7-3-4-13-16(23)21-18(22-17(13)26)25-10-8-24(9-11-25)12-14-19-6-5-15(20-14)27-2/h5-6H,3-4,7-12H2,1-2H3,(H,21,22,26)
InChIKeyKCPHCJUACXXHDI-UHFFFAOYSA-N
MW371.45 g/mol
LogP0.27
Rot. Bonds4

About 2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one

2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one (PubChem CID 136954024) has the molecular formula C18H25N7O2 and a molecular weight of 371.45 g/mol. Its IUPAC name is 2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
PubChem CID136954024
Molecular FormulaC18H25N7O2
Molecular Weight371.45 g/mol
Exact Mass371.21
IUPAC Name2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
SMILESCOc1ccnc(CN2CCN(c3nc4c(c(=O)[nH]3)CCCN4C)CC2)n1
InChIInChI=1S/C18H25N7O2/c1-23-7-3-4-13-16(23)21-18(22-17(13)26)25-10-8-24(9-11-25)12-14-19-6-5-15(20-14)27-2/h5-6H,3-4,7-12H2,1-2H3,(H,21,22,26)
InChIKeyKCPHCJUACXXHDI-UHFFFAOYSA-N
XLogP0.27
TPSA90.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one (CID 136954024) is 2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one is COc1ccnc(CN2CCN(c3nc4c(c(=O)[nH]3)CCCN4C)CC2)n1.
What is the InChIKey of 2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
The InChIKey is KCPHCJUACXXHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O2/c1-23-7-3-4-13-16(23)21-18(22-17(13)26)25-10-8-24(9-11-25)12-14-19-6-5-15(20-14)27-2/h5-6H,3-4,7-12H2,1-2H3,(H,21,22,26).
What are the key properties of 2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one has a molecular weight of 371.45 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-yl]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 136954024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).