5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine

C11H15FN6 — CID 67988919

IUPAC5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCCCn1nccc1Nc1ncc(F)c(NC)n1
InChIInChI=1S/C11H15FN6/c1-3-6-18-9(4-5-15-18)16-11-14-7-8(12)10(13-2)17-11/h4-5,7H,3,6H2,1-2H3,(H2,13,14,16,17)
InChIKeyOMPCHNXRSULYEF-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.01
Rot. Bonds5

About 5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine

5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 67988919) has the molecular formula C11H15FN6 and a molecular weight of 250.28 g/mol. Its IUPAC name is 5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID67988919
Molecular FormulaC11H15FN6
Molecular Weight250.28 g/mol
Exact Mass250.13
IUPAC Name5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCCCn1nccc1Nc1ncc(F)c(NC)n1
InChIInChI=1S/C11H15FN6/c1-3-6-18-9(4-5-15-18)16-11-14-7-8(12)10(13-2)17-11/h4-5,7H,3,6H2,1-2H3,(H2,13,14,16,17)
InChIKeyOMPCHNXRSULYEF-UHFFFAOYSA-N
XLogP2.01
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine 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

[1,2,4]Triazolo[1,5-a]pyrimidin-2-amine
CID 3161243
4-N-methyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69091994
4-N-methyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69092378
1-Ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea
CID 134133048
1-Ethyl-3-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]thiourea
CID 134156023
5-bromo-4-N-cyclopropyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467182
5-bromo-4-N-cyclobutyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467184
5-bromo-4-N,4-N-dimethyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467187
5-bromo-4-N-methyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467620
5-bromo-4-N-(cyclopropylmethyl)-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467625
US9932325, Example 181
CID 132232421
US9932325, Example 190
CID 132244750

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine (CID 67988919) is 5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine is CCCn1nccc1Nc1ncc(F)c(NC)n1.
What is the InChIKey of 5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is OMPCHNXRSULYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN6/c1-3-6-18-9(4-5-15-18)16-11-14-7-8(12)10(13-2)17-11/h4-5,7H,3,6H2,1-2H3,(H2,13,14,16,17).
What are the key properties of 5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine?
5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 250.28 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 67988919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).