N-ethyl-5-fluoro-4-(2-methyl-4-pyridinyl)pyrimidin-2-amine

C12H13FN4 — CID 113482956

IUPACN-ethyl-5-fluoro-4-(2-methyl-4-pyridinyl)pyrimidin-2-amine
SMILESCCNc1ncc(F)c(-c2ccnc(C)c2)n1
InChIInChI=1S/C12H13FN4/c1-3-14-12-16-7-10(13)11(17-12)9-4-5-15-8(2)6-9/h4-7H,3H2,1-2H3,(H,14,16,17)
InChIKeyCVHBHCWLMWNRHE-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.42
Rot. Bonds3

About N-ethyl-5-fluoro-4-(2-methyl-4-pyridinyl)pyrimidin-2-amine

N-ethyl-5-fluoro-4-(2-methyl-4-pyridinyl)pyrimidin-2-amine (PubChem CID 113482956) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-(2-methyl-4-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-(2-methyl-4-pyridinyl)pyrimidin-2-amine
PubChem CID113482956
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC NameN-ethyl-5-fluoro-4-(2-methyl-4-pyridinyl)pyrimidin-2-amine
SMILESCCNc1ncc(F)c(-c2ccnc(C)c2)n1
InChIInChI=1S/C12H13FN4/c1-3-14-12-16-7-10(13)11(17-12)9-4-5-15-8(2)6-9/h4-7H,3H2,1-2H3,(H,14,16,17)
InChIKeyCVHBHCWLMWNRHE-UHFFFAOYSA-N
XLogP2.42
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-(2-methyl-4-pyridinyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-(2-methyl-4-pyridinyl)pyrimidin-2-amine (CID 113482956) is N-ethyl-5-fluoro-4-(2-methyl-4-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-(2-methyl-4-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-(2-methyl-4-pyridinyl)pyrimidin-2-amine is CCNc1ncc(F)c(-c2ccnc(C)c2)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-(2-methyl-4-pyridinyl)pyrimidin-2-amine?
The InChIKey is CVHBHCWLMWNRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-3-14-12-16-7-10(13)11(17-12)9-4-5-15-8(2)6-9/h4-7H,3H2,1-2H3,(H,14,16,17).
What are the key properties of N-ethyl-5-fluoro-4-(2-methyl-4-pyridinyl)pyrimidin-2-amine?
N-ethyl-5-fluoro-4-(2-methyl-4-pyridinyl)pyrimidin-2-amine has a molecular weight of 232.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-4-(2-methyl-4-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 113482956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).