N-(5-tert-butyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C11H15N5 — CID 91050851

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCC(C)(C)c1cc(Nc2ccncn2)n[nH]1
InChIInChI=1S/C11H15N5/c1-11(2,3)8-6-10(16-15-8)14-9-4-5-12-7-13-9/h4-7H,1-3H3,(H2,12,13,14,15,16)
InChIKeyHXJBFHAUWLHPLX-UHFFFAOYSA-N
MW217.28 g/mol
LogP2.24
Rot. Bonds2

About N-(5-tert-butyl-1H-pyrazol-3-yl)pyrimidin-4-amine

N-(5-tert-butyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 91050851) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID91050851
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCC(C)(C)c1cc(Nc2ccncn2)n[nH]1
InChIInChI=1S/C11H15N5/c1-11(2,3)8-6-10(16-15-8)14-9-4-5-12-7-13-9/h4-7H,1-3H3,(H2,12,13,14,15,16)
InChIKeyHXJBFHAUWLHPLX-UHFFFAOYSA-N
XLogP2.24
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-tert-butyl-1H-pyrazol-3-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-tert-butyl-N-(4-fluorophenyl)-1H-pyrazol-3-amine
CID 68993437
ethane;N-pyrazin-2-ylpyrimidin-4-amine
CID 145071809
4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[4-(pyridin-3-ylmethyl)phenyl]pyrimidine-2,4-diamine
CID 10111548
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine
CID 87338226
[4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]methanol
CID 23536033
4-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]pyrimidine
CID 163407295
ethane;N-ethylpyrimidin-4-amine
CID 167491074
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-chloropyrimidin-4-amine
CID 87338222
N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 3288654
1-chloro-2-pyrimidin-4-ylhydrazine
CID 174607543
3-N-pyrimidin-4-ylpyridazine-3,6-diamine
CID 83618963
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide
CID 3830785

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 91050851) is N-(5-tert-butyl-1H-pyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)pyrimidin-4-amine is CC(C)(C)c1cc(Nc2ccncn2)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is HXJBFHAUWLHPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-11(2,3)8-6-10(16-15-8)14-9-4-5-12-7-13-9/h4-7H,1-3H3,(H2,12,13,14,15,16).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
N-(5-tert-butyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 217.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 91050851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).