2-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine

C13H19N5 — CID 80965254

IUPAC2-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1cc(C)n(-c2cc(N)nc(C(C)(C)C)n2)n1
InChIInChI=1S/C13H19N5/c1-8-6-9(2)18(17-8)11-7-10(14)15-12(16-11)13(3,4)5/h6-7H,1-5H3,(H2,14,15,16)
InChIKeyMUSSLYXSGKVAGM-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.16
Rot. Bonds1

About 2-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine

2-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 80965254) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID80965254
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1cc(C)n(-c2cc(N)nc(C(C)(C)C)n2)n1
InChIInChI=1S/C13H19N5/c1-8-6-9(2)18(17-8)11-7-10(14)15-12(16-11)13(3,4)5/h6-7H,1-5H3,(H2,14,15,16)
InChIKeyMUSSLYXSGKVAGM-UHFFFAOYSA-N
XLogP2.16
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 80647714
4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
CID 102051125
2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine
CID 80963065
4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
CID 762223
2-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine
CID 106773470
2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine
CID 139300479
2-(3,5-dimethylpyrazol-1-yl)-6-methylpyridine-4-carbothioamide
CID 114768027
6-amino-2-tert-butylpyrimidine-4-carbonitrile
CID 116862608
3,5-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole
CID 12560600
1-tert-butyl-3,5-dimethylpyrazole;methane
CID 159275422
6-(3,5-dimethylpyrazol-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80853237
2-tert-butyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80966887

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine (CID 80965254) is 2-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine is Cc1cc(C)n(-c2cc(N)nc(C(C)(C)C)n2)n1.
What is the InChIKey of 2-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is MUSSLYXSGKVAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-8-6-9(2)18(17-8)11-7-10(14)15-12(16-11)13(3,4)5/h6-7H,1-5H3,(H2,14,15,16).
What are the key properties of 2-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
2-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80965254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).