N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,5-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine

C16H22N8 — CID 31224581

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,5-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine
SMILESCc1cnc(N(C)CCc2c(C)n[nH]c2C)nc1-c1ncnn1C
InChIInChI=1S/C16H22N8/c1-10-8-17-16(20-14(10)15-18-9-19-24(15)5)23(4)7-6-13-11(2)21-22-12(13)3/h8-9H,6-7H2,1-5H3,(H,21,22)
InChIKeyOBTUBDCVYMXYCE-UHFFFAOYSA-N
MW326.41 g/mol
LogP1.60
Rot. Bonds5

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,5-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,5-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine (PubChem CID 31224581) has the molecular formula C16H22N8 and a molecular weight of 326.41 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,5-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,5-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine
PubChem CID31224581
Molecular FormulaC16H22N8
Molecular Weight326.41 g/mol
Exact Mass326.20
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,5-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine
SMILESCc1cnc(N(C)CCc2c(C)n[nH]c2C)nc1-c1ncnn1C
InChIInChI=1S/C16H22N8/c1-10-8-17-16(20-14(10)15-18-9-19-24(15)5)23(4)7-6-13-11(2)21-22-12(13)3/h8-9H,6-7H2,1-5H3,(H,21,22)
InChIKeyOBTUBDCVYMXYCE-UHFFFAOYSA-N
XLogP1.60
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,5-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,5-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine (CID 31224581) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,5-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,5-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,5-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine is Cc1cnc(N(C)CCc2c(C)n[nH]c2C)nc1-c1ncnn1C.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,5-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine?
The InChIKey is OBTUBDCVYMXYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N8/c1-10-8-17-16(20-14(10)15-18-9-19-24(15)5)23(4)7-6-13-11(2)21-22-12(13)3/h8-9H,6-7H2,1-5H3,(H,21,22).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,5-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,5-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine has a molecular weight of 326.41 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,5-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 31224581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).