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

C18H29N7O — CID 138374297

IUPAC8-methyl-2-[4-(1-pyrimidin-2-ylethyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one
SMILESCC(c1ncccn1)N1CCN(C2NC(=O)C3CCCN(C)C3N2)CC1
InChIInChI=1S/C18H29N7O/c1-13(15-19-6-4-7-20-15)24-9-11-25(12-10-24)18-21-16-14(17(26)22-18)5-3-8-23(16)2/h4,6-7,13-14,16,18,21H,3,5,8-12H2,1-2H3,(H,22,26)
InChIKeyNZXVKMSEXBTHHV-UHFFFAOYSA-N
MW359.48 g/mol
LogP-0.17
Rot. Bonds3

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

8-methyl-2-[4-(1-pyrimidin-2-ylethyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one (PubChem CID 138374297) has the molecular formula C18H29N7O and a molecular weight of 359.48 g/mol. Its IUPAC name is 8-methyl-2-[4-(1-pyrimidin-2-ylethyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-methyl-2-[4-(1-pyrimidin-2-ylethyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one
PubChem CID138374297
Molecular FormulaC18H29N7O
Molecular Weight359.48 g/mol
Exact Mass359.24
IUPAC Name8-methyl-2-[4-(1-pyrimidin-2-ylethyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one
SMILESCC(c1ncccn1)N1CCN(C2NC(=O)C3CCCN(C)C3N2)CC1
InChIInChI=1S/C18H29N7O/c1-13(15-19-6-4-7-20-15)24-9-11-25(12-10-24)18-21-16-14(17(26)22-18)5-3-8-23(16)2/h4,6-7,13-14,16,18,21H,3,5,8-12H2,1-2H3,(H,22,26)
InChIKeyNZXVKMSEXBTHHV-UHFFFAOYSA-N
XLogP-0.17
TPSA76.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-methyl-2-[4-(1-pyrimidin-2-ylethyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[4-(1-pyrimidin-2-ylethyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 8-methyl-2-[4-(1-pyrimidin-2-ylethyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one (CID 138374297) is 8-methyl-2-[4-(1-pyrimidin-2-ylethyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 8-methyl-2-[4-(1-pyrimidin-2-ylethyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 8-methyl-2-[4-(1-pyrimidin-2-ylethyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one is CC(c1ncccn1)N1CCN(C2NC(=O)C3CCCN(C)C3N2)CC1.
What is the InChIKey of 8-methyl-2-[4-(1-pyrimidin-2-ylethyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one?
The InChIKey is NZXVKMSEXBTHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7O/c1-13(15-19-6-4-7-20-15)24-9-11-25(12-10-24)18-21-16-14(17(26)22-18)5-3-8-23(16)2/h4,6-7,13-14,16,18,21H,3,5,8-12H2,1-2H3,(H,22,26).
What are the key properties of 8-methyl-2-[4-(1-pyrimidin-2-ylethyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one?
8-methyl-2-[4-(1-pyrimidin-2-ylethyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one has a molecular weight of 359.48 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[4-(1-pyrimidin-2-ylethyl)piperazin-1-yl]-1,2,3,4a,5,6,7,8a-octahydropyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 138374297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).