4,8-dimethyl-2-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine

C18H25N7 — CID 123742349

IUPAC4,8-dimethyl-2-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
SMILESCc1nc(N2CCN(Cc3ncccn3)CC2)nc2c1CCCN2C
InChIInChI=1S/C18H25N7/c1-14-15-5-3-8-23(2)17(15)22-18(21-14)25-11-9-24(10-12-25)13-16-19-6-4-7-20-16/h4,6-7H,3,5,8-13H2,1-2H3
InChIKeyUFUQDOQIMJGQKA-UHFFFAOYSA-N
MW339.45 g/mol
LogP1.28
Rot. Bonds3

About 4,8-dimethyl-2-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine

4,8-dimethyl-2-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine (PubChem CID 123742349) has the molecular formula C18H25N7 and a molecular weight of 339.45 g/mol. Its IUPAC name is 4,8-dimethyl-2-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name4,8-dimethyl-2-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
PubChem CID123742349
Molecular FormulaC18H25N7
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC Name4,8-dimethyl-2-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
SMILESCc1nc(N2CCN(Cc3ncccn3)CC2)nc2c1CCCN2C
InChIInChI=1S/C18H25N7/c1-14-15-5-3-8-23(2)17(15)22-18(21-14)25-11-9-24(10-12-25)13-16-19-6-4-7-20-16/h4,6-7H,3,5,8-13H2,1-2H3
InChIKeyUFUQDOQIMJGQKA-UHFFFAOYSA-N
XLogP1.28
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-2-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine?
The IUPAC name of 4,8-dimethyl-2-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine (CID 123742349) is 4,8-dimethyl-2-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 4,8-dimethyl-2-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine?
The canonical SMILES for 4,8-dimethyl-2-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine is Cc1nc(N2CCN(Cc3ncccn3)CC2)nc2c1CCCN2C.
What is the InChIKey of 4,8-dimethyl-2-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine?
The InChIKey is UFUQDOQIMJGQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7/c1-14-15-5-3-8-23(2)17(15)22-18(21-14)25-11-9-24(10-12-25)13-16-19-6-4-7-20-16/h4,6-7H,3,5,8-13H2,1-2H3.
What are the key properties of 4,8-dimethyl-2-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine?
4,8-dimethyl-2-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine has a molecular weight of 339.45 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-2-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 123742349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).