N-methyl-6-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine

C11H12N8 — CID 106715777

IUPACN-methyl-6-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
SMILESCNc1cc(-c2cnn(C)c2)nc(-c2ncn[nH]2)n1
InChIInChI=1S/C11H12N8/c1-12-9-3-8(7-4-15-19(2)5-7)16-11(17-9)10-13-6-14-18-10/h3-6H,1-2H3,(H,12,16,17)(H,13,14,18)
InChIKeyOZMIEFANEAVJCB-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.70
Rot. Bonds3

About N-methyl-6-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine

N-methyl-6-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine (PubChem CID 106715777) has the molecular formula C11H12N8 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-methyl-6-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
PubChem CID106715777
Molecular FormulaC11H12N8
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC NameN-methyl-6-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
SMILESCNc1cc(-c2cnn(C)c2)nc(-c2ncn[nH]2)n1
InChIInChI=1S/C11H12N8/c1-12-9-3-8(7-4-15-19(2)5-7)16-11(17-9)10-13-6-14-18-10/h3-6H,1-2H3,(H,12,16,17)(H,13,14,18)
InChIKeyOZMIEFANEAVJCB-UHFFFAOYSA-N
XLogP0.70
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-6-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)pyrimidin-4-amine
CID 106716022
N-methyl-6-(1-methylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine
CID 106716000
2-(2-chlorophenyl)-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715801
N-methyl-6-(1-methylpyrazol-4-yl)-2-(4-methylthiophen-3-yl)pyrimidin-4-amine
CID 106715813
4-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 62944957
N-methyl-6-(1-methylpyrazol-4-yl)-2-pentan-3-ylpyrimidin-4-amine
CID 106716024
N-methyl-6-(1-methylpyrazol-4-yl)-2-(oxan-4-yl)pyrimidin-4-amine
CID 106715810
2-butyl-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715837
methyl 4-(methylamino)-6-(1-methylpyrazol-4-yl)pyrimidine-2-carboxylate
CID 106715741
6-ethyl-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 62201696
6-tert-butyl-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 55045442
N-ethyl-6-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylpyrimidin-4-amine
CID 106715921

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine (CID 106715777) is N-methyl-6-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine is CNc1cc(-c2cnn(C)c2)nc(-c2ncn[nH]2)n1.
What is the InChIKey of N-methyl-6-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
The InChIKey is OZMIEFANEAVJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N8/c1-12-9-3-8(7-4-15-19(2)5-7)16-11(17-9)10-13-6-14-18-10/h3-6H,1-2H3,(H,12,16,17)(H,13,14,18).
What are the key properties of N-methyl-6-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
N-methyl-6-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine has a molecular weight of 256.27 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 106715777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).