4-methyl-2-pyridin-3-yl-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine

C25H31N7 — CID 133279604

IUPAC4-methyl-2-pyridin-3-yl-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
SMILESCc1cc(N2CCCC(CN3CCN(c4ccccn4)CC3)C2)nc(-c2cccnc2)n1
InChIInChI=1S/C25H31N7/c1-20-16-24(29-25(28-20)22-7-4-9-26-17-22)32-11-5-6-21(19-32)18-30-12-14-31(15-13-30)23-8-2-3-10-27-23/h2-4,7-10,16-17,21H,5-6,11-15,18-19H2,1H3
InChIKeyKTBYYCLLSDIEJF-UHFFFAOYSA-N
MW429.57 g/mol
LogP3.28
Rot. Bonds5

About 4-methyl-2-pyridin-3-yl-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine

4-methyl-2-pyridin-3-yl-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine (PubChem CID 133279604) has the molecular formula C25H31N7 and a molecular weight of 429.57 g/mol. Its IUPAC name is 4-methyl-2-pyridin-3-yl-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-pyridin-3-yl-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
PubChem CID133279604
Molecular FormulaC25H31N7
Molecular Weight429.57 g/mol
Exact Mass429.26
IUPAC Name4-methyl-2-pyridin-3-yl-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
SMILESCc1cc(N2CCCC(CN3CCN(c4ccccn4)CC3)C2)nc(-c2cccnc2)n1
InChIInChI=1S/C25H31N7/c1-20-16-24(29-25(28-20)22-7-4-9-26-17-22)32-11-5-6-21(19-32)18-30-12-14-31(15-13-30)23-8-2-3-10-27-23/h2-4,7-10,16-17,21H,5-6,11-15,18-19H2,1H3
InChIKeyKTBYYCLLSDIEJF-UHFFFAOYSA-N
XLogP3.28
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-3-yl-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine?
The IUPAC name of 4-methyl-2-pyridin-3-yl-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine (CID 133279604) is 4-methyl-2-pyridin-3-yl-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-2-pyridin-3-yl-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-2-pyridin-3-yl-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine is Cc1cc(N2CCCC(CN3CCN(c4ccccn4)CC3)C2)nc(-c2cccnc2)n1.
What is the InChIKey of 4-methyl-2-pyridin-3-yl-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine?
The InChIKey is KTBYYCLLSDIEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7/c1-20-16-24(29-25(28-20)22-7-4-9-26-17-22)32-11-5-6-21(19-32)18-30-12-14-31(15-13-30)23-8-2-3-10-27-23/h2-4,7-10,16-17,21H,5-6,11-15,18-19H2,1H3.
What are the key properties of 4-methyl-2-pyridin-3-yl-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine?
4-methyl-2-pyridin-3-yl-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine has a molecular weight of 429.57 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-3-yl-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 133279604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).