6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-propylpyrimidine-2,4-diamine

C12H18N6 — CID 117092491

IUPAC6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(C)nc(Nc2ccnn2C)n1
InChIInChI=1S/C12H18N6/c1-4-6-13-10-8-9(2)15-12(16-10)17-11-5-7-14-18(11)3/h5,7-8H,4,6H2,1-3H3,(H2,13,15,16,17)
InChIKeyJDFGXHQLALMDSH-UHFFFAOYSA-N
MW246.32 g/mol
LogP2.08
Rot. Bonds5

About 6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-propylpyrimidine-2,4-diamine

6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-propylpyrimidine-2,4-diamine (PubChem CID 117092491) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-propylpyrimidine-2,4-diamine
PubChem CID117092491
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(C)nc(Nc2ccnn2C)n1
InChIInChI=1S/C12H18N6/c1-4-6-13-10-8-9(2)15-12(16-10)17-11-5-7-14-18(11)3/h5,7-8H,4,6H2,1-3H3,(H2,13,15,16,17)
InChIKeyJDFGXHQLALMDSH-UHFFFAOYSA-N
XLogP2.08
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 117091979
2-N-(4-ethoxyphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906938
4-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 145343991
4-N-(1-benzylpiperidin-4-yl)-6-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 117081921
4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112906997
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 106041509
2-N-(2-ethyl-6-methylphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906911
6-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80853005
2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906929
6-(2-methylpyrazol-3-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952418
6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80762323
2-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906982

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-propylpyrimidine-2,4-diamine (CID 117092491) is 6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-propylpyrimidine-2,4-diamine is CCCNc1cc(C)nc(Nc2ccnn2C)n1.
What is the InChIKey of 6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is JDFGXHQLALMDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-4-6-13-10-8-9(2)15-12(16-10)17-11-5-7-14-18(11)3/h5,7-8H,4,6H2,1-3H3,(H2,13,15,16,17).
What are the key properties of 6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-propylpyrimidine-2,4-diamine?
6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 246.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-(2-methylpyrazol-3-yl)-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 117092491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).