7-methyl-2-[4-(2-pyrimidin-2-ylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one

C18H25N7O — CID 136953983

IUPAC7-methyl-2-[4-(2-pyrimidin-2-ylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCC1CCc2c(nc(N3CCN(CCc4ncccn4)CC3)[nH]c2=O)N1
InChIInChI=1S/C18H25N7O/c1-13-3-4-14-16(21-13)22-18(23-17(14)26)25-11-9-24(10-12-25)8-5-15-19-6-2-7-20-15/h2,6-7,13H,3-5,8-12H2,1H3,(H2,21,22,23,26)
InChIKeyWYNYIIOGDNVKOD-UHFFFAOYSA-N
MW355.45 g/mol
LogP0.67
Rot. Bonds4

About 7-methyl-2-[4-(2-pyrimidin-2-ylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one

7-methyl-2-[4-(2-pyrimidin-2-ylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 136953983) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is 7-methyl-2-[4-(2-pyrimidin-2-ylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-[4-(2-pyrimidin-2-ylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID136953983
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Name7-methyl-2-[4-(2-pyrimidin-2-ylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCC1CCc2c(nc(N3CCN(CCc4ncccn4)CC3)[nH]c2=O)N1
InChIInChI=1S/C18H25N7O/c1-13-3-4-14-16(21-13)22-18(23-17(14)26)25-11-9-24(10-12-25)8-5-15-19-6-2-7-20-15/h2,6-7,13H,3-5,8-12H2,1H3,(H2,21,22,23,26)
InChIKeyWYNYIIOGDNVKOD-UHFFFAOYSA-N
XLogP0.67
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[4-(2-pyrimidin-2-ylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-[4-(2-pyrimidin-2-ylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (CID 136953983) is 7-methyl-2-[4-(2-pyrimidin-2-ylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-[4-(2-pyrimidin-2-ylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-[4-(2-pyrimidin-2-ylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is CC1CCc2c(nc(N3CCN(CCc4ncccn4)CC3)[nH]c2=O)N1.
What is the InChIKey of 7-methyl-2-[4-(2-pyrimidin-2-ylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is WYNYIIOGDNVKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-13-3-4-14-16(21-13)22-18(23-17(14)26)25-11-9-24(10-12-25)8-5-15-19-6-2-7-20-15/h2,6-7,13H,3-5,8-12H2,1H3,(H2,21,22,23,26).
What are the key properties of 7-methyl-2-[4-(2-pyrimidin-2-ylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
7-methyl-2-[4-(2-pyrimidin-2-ylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 355.45 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[4-(2-pyrimidin-2-ylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 136953983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).