5-(2-fluoro-4-propan-2-yl-3-pyrimidin-2-yloxyphenyl)pyrazin-2-amine

C17H16FN5O — CID 90310641

IUPAC5-(2-fluoro-4-propan-2-yl-3-pyrimidin-2-yloxyphenyl)pyrazin-2-amine
SMILESCC(C)c1ccc(-c2cnc(N)cn2)c(F)c1Oc1ncccn1
InChIInChI=1S/C17H16FN5O/c1-10(2)11-4-5-12(13-8-23-14(19)9-22-13)15(18)16(11)24-17-20-6-3-7-21-17/h3-10H,1-2H3,(H2,19,23)
InChIKeyMRXJUDCQNISENV-UHFFFAOYSA-N
MW325.35 g/mol
LogP3.57
Rot. Bonds4

About 5-(2-fluoro-4-propan-2-yl-3-pyrimidin-2-yloxyphenyl)pyrazin-2-amine

5-(2-fluoro-4-propan-2-yl-3-pyrimidin-2-yloxyphenyl)pyrazin-2-amine (PubChem CID 90310641) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 5-(2-fluoro-4-propan-2-yl-3-pyrimidin-2-yloxyphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(2-fluoro-4-propan-2-yl-3-pyrimidin-2-yloxyphenyl)pyrazin-2-amine
PubChem CID90310641
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name5-(2-fluoro-4-propan-2-yl-3-pyrimidin-2-yloxyphenyl)pyrazin-2-amine
SMILESCC(C)c1ccc(-c2cnc(N)cn2)c(F)c1Oc1ncccn1
InChIInChI=1S/C17H16FN5O/c1-10(2)11-4-5-12(13-8-23-14(19)9-22-13)15(18)16(11)24-17-20-6-3-7-21-17/h3-10H,1-2H3,(H2,19,23)
InChIKeyMRXJUDCQNISENV-UHFFFAOYSA-N
XLogP3.57
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-propan-2-yl-3-pyrimidin-2-yloxyphenyl)pyrazin-2-amine?
The IUPAC name of 5-(2-fluoro-4-propan-2-yl-3-pyrimidin-2-yloxyphenyl)pyrazin-2-amine (CID 90310641) is 5-(2-fluoro-4-propan-2-yl-3-pyrimidin-2-yloxyphenyl)pyrazin-2-amine.
What is the SMILES notation for 5-(2-fluoro-4-propan-2-yl-3-pyrimidin-2-yloxyphenyl)pyrazin-2-amine?
The canonical SMILES for 5-(2-fluoro-4-propan-2-yl-3-pyrimidin-2-yloxyphenyl)pyrazin-2-amine is CC(C)c1ccc(-c2cnc(N)cn2)c(F)c1Oc1ncccn1.
What is the InChIKey of 5-(2-fluoro-4-propan-2-yl-3-pyrimidin-2-yloxyphenyl)pyrazin-2-amine?
The InChIKey is MRXJUDCQNISENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c1-10(2)11-4-5-12(13-8-23-14(19)9-22-13)15(18)16(11)24-17-20-6-3-7-21-17/h3-10H,1-2H3,(H2,19,23).
What are the key properties of 5-(2-fluoro-4-propan-2-yl-3-pyrimidin-2-yloxyphenyl)pyrazin-2-amine?
5-(2-fluoro-4-propan-2-yl-3-pyrimidin-2-yloxyphenyl)pyrazin-2-amine has a molecular weight of 325.35 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-propan-2-yl-3-pyrimidin-2-yloxyphenyl)pyrazin-2-amine is sourced from PubChem (CID 90310641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).