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

C10H12FN5O — CID 81342638

IUPACN-ethyl-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine
SMILESCCNc1ncc(F)c(Oc2cc(C)[nH]n2)n1
InChIInChI=1S/C10H12FN5O/c1-3-12-10-13-5-7(11)9(14-10)17-8-4-6(2)15-16-8/h4-5H,3H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyCRVJRXULTYRDNO-UHFFFAOYSA-N
MW237.24 g/mol
LogP1.87
Rot. Bonds4

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

N-ethyl-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine (PubChem CID 81342638) has the molecular formula C10H12FN5O and a molecular weight of 237.24 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine
PubChem CID81342638
Molecular FormulaC10H12FN5O
Molecular Weight237.24 g/mol
Exact Mass237.10
IUPAC NameN-ethyl-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine
SMILESCCNc1ncc(F)c(Oc2cc(C)[nH]n2)n1
InChIInChI=1S/C10H12FN5O/c1-3-12-10-13-5-7(11)9(14-10)17-8-4-6(2)15-16-8/h4-5H,3H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyCRVJRXULTYRDNO-UHFFFAOYSA-N
XLogP1.87
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine (CID 81342638) is N-ethyl-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine is CCNc1ncc(F)c(Oc2cc(C)[nH]n2)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine?
The InChIKey is CRVJRXULTYRDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5O/c1-3-12-10-13-5-7(11)9(14-10)17-8-4-6(2)15-16-8/h4-5H,3H2,1-2H3,(H,15,16)(H,12,13,14).
What are the key properties of N-ethyl-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine?
N-ethyl-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine has a molecular weight of 237.24 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine is sourced from PubChem (CID 81342638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).