4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidin-2-amine

C20H25N5 — CID 158535242

IUPAC4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidin-2-amine
SMILESCc1cc(C)n(CCCc2cc(-c3cccc(C)c3C)nc(N)n2)n1
InChIInChI=1S/C20H25N5/c1-13-7-5-9-18(16(13)4)19-12-17(22-20(21)23-19)8-6-10-25-15(3)11-14(2)24-25/h5,7,9,11-12H,6,8,10H2,1-4H3,(H2,21,22,23)
InChIKeyMNDUWRILYJQWEA-UHFFFAOYSA-N
MW335.46 g/mol
LogP3.79
Rot. Bonds5

About 4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidin-2-amine

4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidin-2-amine (PubChem CID 158535242) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidin-2-amine
PubChem CID158535242
Molecular FormulaC20H25N5
Molecular Weight335.46 g/mol
Exact Mass335.21
IUPAC Name4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidin-2-amine
SMILESCc1cc(C)n(CCCc2cc(-c3cccc(C)c3C)nc(N)n2)n1
InChIInChI=1S/C20H25N5/c1-13-7-5-9-18(16(13)4)19-12-17(22-20(21)23-19)8-6-10-25-15(3)11-14(2)24-25/h5,7,9,11-12H,6,8,10H2,1-4H3,(H2,21,22,23)
InChIKeyMNDUWRILYJQWEA-UHFFFAOYSA-N
XLogP3.79
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,3-dimethylphenyl)-4-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine
CID 90189739
4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide
CID 157050203
4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine
CID 157119078
4-(2,3-dimethylphenyl)-6-[3-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]pyrimidin-2-amine
CID 158415498
4-N-(2-amino-2-methylpropyl)-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine
CID 90189616
4-N-(2-aminopropyl)-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine
CID 142772228
2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]aniline
CID 62497089
methyl 5-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrazine-2-carboxylate
CID 159732619
6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2,3,6-triamine
CID 114536169
4,6-bis(2,3-dimethylphenyl)-1,3,5-triazin-2-amine
CID 155659770
N-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
CID 90189505
6-(2,3-dimethylphenyl)-4-N-[3-(phenylsulfanylamino)propyl]pyrimidine-2,4-diamine
CID 155440732

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidin-2-amine?
The IUPAC name of 4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidin-2-amine (CID 158535242) is 4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidin-2-amine?
The canonical SMILES for 4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidin-2-amine is Cc1cc(C)n(CCCc2cc(-c3cccc(C)c3C)nc(N)n2)n1.
What is the InChIKey of 4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidin-2-amine?
The InChIKey is MNDUWRILYJQWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-13-7-5-9-18(16(13)4)19-12-17(22-20(21)23-19)8-6-10-25-15(3)11-14(2)24-25/h5,7,9,11-12H,6,8,10H2,1-4H3,(H2,21,22,23).
What are the key properties of 4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidin-2-amine?
4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidin-2-amine has a molecular weight of 335.46 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidin-2-amine is sourced from PubChem (CID 158535242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).