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

C18H25N7O — CID 138374300

IUPAC8-methyl-2-[4-[(4-methylpyrimidin-2-yl)methyl]piperazin-1-yl]-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccnc(CN2CCN(C3=NC(=O)C4CCCN(C)C4=N3)CC2)n1
InChIInChI=1S/C18H25N7O/c1-13-5-6-19-15(20-13)12-24-8-10-25(11-9-24)18-21-16-14(17(26)22-18)4-3-7-23(16)2/h5-6,14H,3-4,7-12H2,1-2H3
InChIKeyVACNWYGCWMKWGE-UHFFFAOYSA-N
MW355.45 g/mol
LogP0.54
Rot. Bonds2

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

8-methyl-2-[4-[(4-methylpyrimidin-2-yl)methyl]piperazin-1-yl]-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one (PubChem CID 138374300) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is 8-methyl-2-[4-[(4-methylpyrimidin-2-yl)methyl]piperazin-1-yl]-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-methyl-2-[4-[(4-methylpyrimidin-2-yl)methyl]piperazin-1-yl]-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
PubChem CID138374300
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Name8-methyl-2-[4-[(4-methylpyrimidin-2-yl)methyl]piperazin-1-yl]-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccnc(CN2CCN(C3=NC(=O)C4CCCN(C)C4=N3)CC2)n1
InChIInChI=1S/C18H25N7O/c1-13-5-6-19-15(20-13)12-24-8-10-25(11-9-24)18-21-16-14(17(26)22-18)4-3-7-23(16)2/h5-6,14H,3-4,7-12H2,1-2H3
InChIKeyVACNWYGCWMKWGE-UHFFFAOYSA-N
XLogP0.54
TPSA77.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[4-[(4-methylpyrimidin-2-yl)methyl]piperazin-1-yl]-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 8-methyl-2-[4-[(4-methylpyrimidin-2-yl)methyl]piperazin-1-yl]-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one (CID 138374300) is 8-methyl-2-[4-[(4-methylpyrimidin-2-yl)methyl]piperazin-1-yl]-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 8-methyl-2-[4-[(4-methylpyrimidin-2-yl)methyl]piperazin-1-yl]-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 8-methyl-2-[4-[(4-methylpyrimidin-2-yl)methyl]piperazin-1-yl]-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one is Cc1ccnc(CN2CCN(C3=NC(=O)C4CCCN(C)C4=N3)CC2)n1.
What is the InChIKey of 8-methyl-2-[4-[(4-methylpyrimidin-2-yl)methyl]piperazin-1-yl]-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
The InChIKey is VACNWYGCWMKWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-13-5-6-19-15(20-13)12-24-8-10-25(11-9-24)18-21-16-14(17(26)22-18)4-3-7-23(16)2/h5-6,14H,3-4,7-12H2,1-2H3.
What are the key properties of 8-methyl-2-[4-[(4-methylpyrimidin-2-yl)methyl]piperazin-1-yl]-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
8-methyl-2-[4-[(4-methylpyrimidin-2-yl)methyl]piperazin-1-yl]-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one has a molecular weight of 355.45 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[4-[(4-methylpyrimidin-2-yl)methyl]piperazin-1-yl]-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 138374300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).