5-fluoro-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine

C11H14FN5O — CID 135109355

IUPAC5-fluoro-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine
SMILESCOc1nc(N(C)Cc2cnn(C)c2)ncc1F
InChIInChI=1S/C11H14FN5O/c1-16(6-8-4-14-17(2)7-8)11-13-5-9(12)10(15-11)18-3/h4-5,7H,6H2,1-3H3
InChIKeyMOLJVIHROWLNHB-UHFFFAOYSA-N
MW251.27 g/mol
LogP0.99
Rot. Bonds4

About 5-fluoro-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine

5-fluoro-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine (PubChem CID 135109355) has the molecular formula C11H14FN5O and a molecular weight of 251.27 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine
PubChem CID135109355
Molecular FormulaC11H14FN5O
Molecular Weight251.27 g/mol
Exact Mass251.12
IUPAC Name5-fluoro-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine
SMILESCOc1nc(N(C)Cc2cnn(C)c2)ncc1F
InChIInChI=1S/C11H14FN5O/c1-16(6-8-4-14-17(2)7-8)11-13-5-9(12)10(15-11)18-3/h4-5,7H,6H2,1-3H3
InChIKeyMOLJVIHROWLNHB-UHFFFAOYSA-N
XLogP0.99
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-Methoxy-1-methyl-1H-pyrazolo[3,4-D]pyrimidine
CID 219763
4-methoxy-2-methyl-2H-pyrazolo[3,4-d]pyrimidine
CID 21587659
4-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]pyrimidin-2-amine
CID 53623653
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-fluoro-4-methoxy-N-methylpyrimidin-2-amine
CID 129624417
2-(2-Ethylpyrazol-3-yl)oxy-5-fluoropyrimidin-4-amine
CID 57818674
[3-methoxy-1-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrazol-4-yl]methanamine
CID 118008971
5-(3-Methoxy-4-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
CID 122456169
3-(Difluoromethoxy)-1-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]pyrazole-4-carbonitrile
CID 146482055
4-Fluoro-6-methoxy-2-pyrazol-1-yl-5-(trifluoromethyl)pyrimidine
CID 156415005
4-Fluoro-2-(4-fluoropyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine
CID 156745696
4-Fluoro-6-methoxy-2-(3-methoxy-1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine
CID 156865191
N-[2-(2-ethylpyrazol-3-yl)oxy-5-fluoropyrimidin-4-yl]methanimine
CID 163746878

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine (CID 135109355) is 5-fluoro-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine is COc1nc(N(C)Cc2cnn(C)c2)ncc1F.
What is the InChIKey of 5-fluoro-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine?
The InChIKey is MOLJVIHROWLNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5O/c1-16(6-8-4-14-17(2)7-8)11-13-5-9(12)10(15-11)18-3/h4-5,7H,6H2,1-3H3.
What are the key properties of 5-fluoro-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine?
5-fluoro-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine has a molecular weight of 251.27 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 135109355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).