2-methyl-5-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-4-pyridin-3-ylpyrimidine

C19H21N7 — CID 118741438

IUPAC2-methyl-5-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-4-pyridin-3-ylpyrimidine
SMILESCc1ncc(-c2ccnc(N3CCN(C)CC3)n2)c(-c2cccnc2)n1
InChIInChI=1S/C19H21N7/c1-14-22-13-16(18(23-14)15-4-3-6-20-12-15)17-5-7-21-19(24-17)26-10-8-25(2)9-11-26/h3-7,12-13H,8-11H2,1-2H3
InChIKeyKIALHSHFSAMAKP-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.06
Rot. Bonds3

About 2-methyl-5-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-4-pyridin-3-ylpyrimidine

2-methyl-5-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-4-pyridin-3-ylpyrimidine (PubChem CID 118741438) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-methyl-5-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-4-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name2-methyl-5-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-4-pyridin-3-ylpyrimidine
PubChem CID118741438
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name2-methyl-5-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-4-pyridin-3-ylpyrimidine
SMILESCc1ncc(-c2ccnc(N3CCN(C)CC3)n2)c(-c2cccnc2)n1
InChIInChI=1S/C19H21N7/c1-14-22-13-16(18(23-14)15-4-3-6-20-12-15)17-5-7-21-19(24-17)26-10-8-25(2)9-11-26/h3-7,12-13H,8-11H2,1-2H3
InChIKeyKIALHSHFSAMAKP-UHFFFAOYSA-N
XLogP2.06
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-4-pyridin-3-ylpyrimidine?
The IUPAC name of 2-methyl-5-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-4-pyridin-3-ylpyrimidine (CID 118741438) is 2-methyl-5-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-4-pyridin-3-ylpyrimidine.
What is the SMILES notation for 2-methyl-5-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-4-pyridin-3-ylpyrimidine?
The canonical SMILES for 2-methyl-5-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-4-pyridin-3-ylpyrimidine is Cc1ncc(-c2ccnc(N3CCN(C)CC3)n2)c(-c2cccnc2)n1.
What is the InChIKey of 2-methyl-5-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-4-pyridin-3-ylpyrimidine?
The InChIKey is KIALHSHFSAMAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-14-22-13-16(18(23-14)15-4-3-6-20-12-15)17-5-7-21-19(24-17)26-10-8-25(2)9-11-26/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of 2-methyl-5-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-4-pyridin-3-ylpyrimidine?
2-methyl-5-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-4-pyridin-3-ylpyrimidine has a molecular weight of 347.43 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-4-pyridin-3-ylpyrimidine is sourced from PubChem (CID 118741438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).