5-fluoro-4-methoxy-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-amine

C11H14FN5O2 — CID 135090034

IUPAC5-fluoro-4-methoxy-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-amine
SMILESCOCc1cc(CNc2ncc(F)c(OC)n2)[nH]n1
InChIInChI=1S/C11H14FN5O2/c1-18-6-8-3-7(16-17-8)4-13-11-14-5-9(12)10(15-11)19-2/h3,5H,4,6H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyIYNXNCRZJBXTHN-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.11
Rot. Bonds6

About 5-fluoro-4-methoxy-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-amine

5-fluoro-4-methoxy-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-amine (PubChem CID 135090034) has the molecular formula C11H14FN5O2 and a molecular weight of 267.26 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-amine
PubChem CID135090034
Molecular FormulaC11H14FN5O2
Molecular Weight267.26 g/mol
Exact Mass267.11
IUPAC Name5-fluoro-4-methoxy-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-amine
SMILESCOCc1cc(CNc2ncc(F)c(OC)n2)[nH]n1
InChIInChI=1S/C11H14FN5O2/c1-18-6-8-3-7(16-17-8)4-13-11-14-5-9(12)10(15-11)19-2/h3,5H,4,6H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyIYNXNCRZJBXTHN-UHFFFAOYSA-N
XLogP1.11
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-methoxy-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-amine (CID 135090034) is 5-fluoro-4-methoxy-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-methoxy-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-methoxy-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-amine is COCc1cc(CNc2ncc(F)c(OC)n2)[nH]n1.
What is the InChIKey of 5-fluoro-4-methoxy-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-amine?
The InChIKey is IYNXNCRZJBXTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5O2/c1-18-6-8-3-7(16-17-8)4-13-11-14-5-9(12)10(15-11)19-2/h3,5H,4,6H2,1-2H3,(H,16,17)(H,13,14,15).
What are the key properties of 5-fluoro-4-methoxy-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-amine?
5-fluoro-4-methoxy-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-amine has a molecular weight of 267.26 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 135090034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).