5-fluoro-4-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-2-amine

C11H14FN5O — CID 135091992

IUPAC5-fluoro-4-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-2-amine
SMILESCOc1nc(NC(C)Cn2cccn2)ncc1F
InChIInChI=1S/C11H14FN5O/c1-8(7-17-5-3-4-14-17)15-11-13-6-9(12)10(16-11)18-2/h3-6,8H,7H2,1-2H3,(H,13,15,16)
InChIKeyKBJQQPRUQCSUIQ-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.32
Rot. Bonds5

About 5-fluoro-4-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-2-amine

5-fluoro-4-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-2-amine (PubChem CID 135091992) has the molecular formula C11H14FN5O and a molecular weight of 251.27 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-2-amine
PubChem CID135091992
Molecular FormulaC11H14FN5O
Molecular Weight251.27 g/mol
Exact Mass251.12
IUPAC Name5-fluoro-4-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-2-amine
SMILESCOc1nc(NC(C)Cn2cccn2)ncc1F
InChIInChI=1S/C11H14FN5O/c1-8(7-17-5-3-4-14-17)15-11-13-6-9(12)10(16-11)18-2/h3-6,8H,7H2,1-2H3,(H,13,15,16)
InChIKeyKBJQQPRUQCSUIQ-UHFFFAOYSA-N
XLogP1.32
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-methyl-1H-pyrazol-4-amine
CID 43552508
4-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]pyrimidin-2-amine
CID 53623653
(6S)-N-(4-methoxypyrimidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95329616
4-ethoxy-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine
CID 122566345
N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-4-methoxypyrimidin-2-amine
CID 128972810
4-methoxy-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-5-amine
CID 136572027
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 hydrochloride
CID 118008970
[3-methoxy-1-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrazol-4-yl]methanamine
CID 118008971
5-(3-Methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
CID 122532992
5-fluoro-4-methoxy-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 148939449
N-[1-(2-fluoroethyl)-3-methoxypyrazol-4-yl]-5-iodopyrimidin-2-amine
CID 154640449

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-2-amine (CID 135091992) is 5-fluoro-4-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-2-amine is COc1nc(NC(C)Cn2cccn2)ncc1F.
What is the InChIKey of 5-fluoro-4-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-2-amine?
The InChIKey is KBJQQPRUQCSUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5O/c1-8(7-17-5-3-4-14-17)15-11-13-6-9(12)10(16-11)18-2/h3-6,8H,7H2,1-2H3,(H,13,15,16).
What are the key properties of 5-fluoro-4-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-2-amine?
5-fluoro-4-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-2-amine has a molecular weight of 251.27 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 135091992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).