4-methyl-6-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine

C19H30N8 — CID 72931286

IUPAC4-methyl-6-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
SMILESCc1cc(N2CCC(c3nnc(CN4CCN(C)CC4)n3C)CC2)ncn1
InChIInChI=1S/C19H30N8/c1-15-12-17(21-14-20-15)27-6-4-16(5-7-27)19-23-22-18(25(19)3)13-26-10-8-24(2)9-11-26/h12,14,16H,4-11,13H2,1-3H3
InChIKeyWHNZANGZGFVLMP-UHFFFAOYSA-N
MW370.51 g/mol
LogP1.04
Rot. Bonds4

About 4-methyl-6-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine

4-methyl-6-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine (PubChem CID 72931286) has the molecular formula C19H30N8 and a molecular weight of 370.51 g/mol. Its IUPAC name is 4-methyl-6-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-6-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
PubChem CID72931286
Molecular FormulaC19H30N8
Molecular Weight370.51 g/mol
Exact Mass370.26
IUPAC Name4-methyl-6-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
SMILESCc1cc(N2CCC(c3nnc(CN4CCN(C)CC4)n3C)CC2)ncn1
InChIInChI=1S/C19H30N8/c1-15-12-17(21-14-20-15)27-6-4-16(5-7-27)19-23-22-18(25(19)3)13-26-10-8-24(2)9-11-26/h12,14,16H,4-11,13H2,1-3H3
InChIKeyWHNZANGZGFVLMP-UHFFFAOYSA-N
XLogP1.04
TPSA66.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.51
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine?
The IUPAC name of 4-methyl-6-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine (CID 72931286) is 4-methyl-6-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-6-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-6-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine is Cc1cc(N2CCC(c3nnc(CN4CCN(C)CC4)n3C)CC2)ncn1.
What is the InChIKey of 4-methyl-6-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine?
The InChIKey is WHNZANGZGFVLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N8/c1-15-12-17(21-14-20-15)27-6-4-16(5-7-27)19-23-22-18(25(19)3)13-26-10-8-24(2)9-11-26/h12,14,16H,4-11,13H2,1-3H3.
What are the key properties of 4-methyl-6-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine?
4-methyl-6-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine has a molecular weight of 370.51 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 72931286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).