5-fluoro-2-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine

C12H17FN6O — CID 135102138

IUPAC5-fluoro-2-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCOCc1cc(CNc2ncc(F)c(N(C)C)n2)[nH]n1
InChIInChI=1S/C12H17FN6O/c1-19(2)11-10(13)6-15-12(16-11)14-5-8-4-9(7-20-3)18-17-8/h4,6H,5,7H2,1-3H3,(H,17,18)(H,14,15,16)
InChIKeyQNMMZGJQUJTYHB-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.16
Rot. Bonds6

About 5-fluoro-2-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine

5-fluoro-2-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 135102138) has the molecular formula C12H17FN6O and a molecular weight of 280.31 g/mol. Its IUPAC name is 5-fluoro-2-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID135102138
Molecular FormulaC12H17FN6O
Molecular Weight280.31 g/mol
Exact Mass280.14
IUPAC Name5-fluoro-2-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCOCc1cc(CNc2ncc(F)c(N(C)C)n2)[nH]n1
InChIInChI=1S/C12H17FN6O/c1-19(2)11-10(13)6-15-12(16-11)14-5-8-4-9(7-20-3)18-17-8/h4,6H,5,7H2,1-3H3,(H,17,18)(H,14,15,16)
InChIKeyQNMMZGJQUJTYHB-UHFFFAOYSA-N
XLogP1.16
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-2-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine with MolForge

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Related Compounds

CID 72873636
CID 72873636
N-[2-(3,5-Dimethyl-1H-pyrazol-4-YL)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 72922967
2-(2-methylpyrimidin-4-yl)-4-(1H-pyrazol-5-ylmethyl)morpholine
CID 110112074
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine
CID 50959698
4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
CID 50973199
4-(1H-imidazol-2-yl)-1-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-1H-1,2,3-triazole
CID 72858103
1-(5-Ethyl-2-methylpyrimidin-4-YL)-N-{[5-(methoxymethyl)-1H-pyrazol-3-YL]methyl}piperidin-4-amine
CID 72915073
N-{[5-(Methoxymethyl)-1H-pyrazol-3-YL]methyl}-2-(trifluoromethyl)pyrimidin-4-amine
CID 72937346
2-[(1,5-Dimethylpyrazol-3-yl)methoxy]-5-fluoropyrimidin-4-amine
CID 57819186
(2S)-1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine
CID 166132377
(2S)-1-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine
CID 166132383
N-[[3-[[(2S)-pyrrolidin-2-yl]methoxymethyl]-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 167201408

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine (CID 135102138) is 5-fluoro-2-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine is COCc1cc(CNc2ncc(F)c(N(C)C)n2)[nH]n1.
What is the InChIKey of 5-fluoro-2-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is QNMMZGJQUJTYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN6O/c1-19(2)11-10(13)6-15-12(16-11)14-5-8-4-9(7-20-3)18-17-8/h4,6H,5,7H2,1-3H3,(H,17,18)(H,14,15,16).
What are the key properties of 5-fluoro-2-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
5-fluoro-2-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 280.31 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 135102138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).