5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrimidine-2,4-diamine

C17H19FN6 — CID 135103174

IUPAC5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrimidine-2,4-diamine
SMILESCc1ccccc1-n1cc(CNc2ncc(F)c(N(C)C)n2)cn1
InChIInChI=1S/C17H19FN6/c1-12-6-4-5-7-15(12)24-11-13(9-21-24)8-19-17-20-10-14(18)16(22-17)23(2)3/h4-7,9-11H,8H2,1-3H3,(H,19,20,22)
InChIKeyXHUZXGQXUPVXMP-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.79
Rot. Bonds5

About 5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrimidine-2,4-diamine

5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrimidine-2,4-diamine (PubChem CID 135103174) has the molecular formula C17H19FN6 and a molecular weight of 326.38 g/mol. Its IUPAC name is 5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrimidine-2,4-diamine
PubChem CID135103174
Molecular FormulaC17H19FN6
Molecular Weight326.38 g/mol
Exact Mass326.17
IUPAC Name5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrimidine-2,4-diamine
SMILESCc1ccccc1-n1cc(CNc2ncc(F)c(N(C)C)n2)cn1
InChIInChI=1S/C17H19FN6/c1-12-6-4-5-7-15(12)24-11-13(9-21-24)8-19-17-20-10-14(18)16(22-17)23(2)3/h4-7,9-11H,8H2,1-3H3,(H,19,20,22)
InChIKeyXHUZXGQXUPVXMP-UHFFFAOYSA-N
XLogP2.79
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propan-2-amine
CID 61271515
5-fluoro-4-N,4-N-dimethyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 137345709
2-[1-(2-methylphenyl)pyrazol-4-yl]ethanamine
CID 82282392
5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80765312
N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-pyrimidin-5-ylmethanamine
CID 131920376
5-fluoro-4-N,4-N-dimethyl-2-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-2,4-diamine
CID 72867046
N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1,4-dithiepan-6-amine
CID 131951782
[4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]phenyl]-piperidin-1-ylmethanone
CID 137336198
5-fluoro-2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80899397
5-fluoro-4-N,4-N-dimethyl-2-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrimidine-2,4-diamine
CID 72877914
2-N-[(2-chloro-6-fluorophenyl)methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 134699655
2-N-[(4-benzyl-1,4-oxazepan-2-yl)methyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 137343580

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrimidine-2,4-diamine (CID 135103174) is 5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrimidine-2,4-diamine is Cc1ccccc1-n1cc(CNc2ncc(F)c(N(C)C)n2)cn1.
What is the InChIKey of 5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrimidine-2,4-diamine?
The InChIKey is XHUZXGQXUPVXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6/c1-12-6-4-5-7-15(12)24-11-13(9-21-24)8-19-17-20-10-14(18)16(22-17)23(2)3/h4-7,9-11H,8H2,1-3H3,(H,19,20,22).
What are the key properties of 5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrimidine-2,4-diamine?
5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrimidine-2,4-diamine has a molecular weight of 326.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 135103174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).