6-methoxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine

C12H17N5O — CID 114263271

IUPAC6-methoxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
SMILESCOc1cc(Nc2cn(C)nc2C(C)C)ncn1
InChIInChI=1S/C12H17N5O/c1-8(2)12-9(6-17(3)16-12)15-10-5-11(18-4)14-7-13-10/h5-8H,1-4H3,(H,13,14,15)
InChIKeyNAGRRQVSADBUND-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.09
Rot. Bonds4

About 6-methoxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine

6-methoxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 114263271) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-methoxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID114263271
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name6-methoxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
SMILESCOc1cc(Nc2cn(C)nc2C(C)C)ncn1
InChIInChI=1S/C12H17N5O/c1-8(2)12-9(6-17(3)16-12)15-10-5-11(18-4)14-7-13-10/h5-8H,1-4H3,(H,13,14,15)
InChIKeyNAGRRQVSADBUND-UHFFFAOYSA-N
XLogP2.09
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-methoxy-N-(1-methyl-3-propan-2-ylpyrazol-4-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-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine
CID 114263243
N-[2-(1-chloroethyl)phenyl]-6-methoxypyrimidin-4-amine
CID 66317871
6-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine
CID 114263278
6-fluoro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)quinazolin-4-amine
CID 136539301
5-ethyl-6-hydrazinyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
CID 114262897
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-methoxypyrimidin-4-amine
CID 95127371
methyl N-(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamate
CID 130477952
5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
CID 114094517
6-methoxy-N-pentan-3-ylpyrimidin-4-amine
CID 66325775
N-(6-methoxypyrimidin-4-yl)-1-methylbenzimidazol-5-amine
CID 167947358
4-methoxy-1-methyl-3-propan-2-ylpyrazole
CID 163957841
2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,2-diamine
CID 114262562

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine (CID 114263271) is 6-methoxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine is COc1cc(Nc2cn(C)nc2C(C)C)ncn1.
What is the InChIKey of 6-methoxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is NAGRRQVSADBUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8(2)12-9(6-17(3)16-12)15-10-5-11(18-4)14-7-13-10/h5-8H,1-4H3,(H,13,14,15).
What are the key properties of 6-methoxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine?
6-methoxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 247.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 114263271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).