N-cyclopropyl-6-ethyl-5-fluoro-N-(3-methylbutyl)pyrimidin-4-amine

C14H22FN3 — CID 133418246

IUPACN-cyclopropyl-6-ethyl-5-fluoro-N-(3-methylbutyl)pyrimidin-4-amine
SMILESCCc1ncnc(N(CCC(C)C)C2CC2)c1F
InChIInChI=1S/C14H22FN3/c1-4-12-13(15)14(17-9-16-12)18(11-5-6-11)8-7-10(2)3/h9-11H,4-8H2,1-3H3
InChIKeyLHVWBUANCGRHPX-UHFFFAOYSA-N
MW251.35 g/mol
LogP3.19
Rot. Bonds6

About N-cyclopropyl-6-ethyl-5-fluoro-N-(3-methylbutyl)pyrimidin-4-amine

N-cyclopropyl-6-ethyl-5-fluoro-N-(3-methylbutyl)pyrimidin-4-amine (PubChem CID 133418246) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is N-cyclopropyl-6-ethyl-5-fluoro-N-(3-methylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-ethyl-5-fluoro-N-(3-methylbutyl)pyrimidin-4-amine
PubChem CID133418246
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC NameN-cyclopropyl-6-ethyl-5-fluoro-N-(3-methylbutyl)pyrimidin-4-amine
SMILESCCc1ncnc(N(CCC(C)C)C2CC2)c1F
InChIInChI=1S/C14H22FN3/c1-4-12-13(15)14(17-9-16-12)18(11-5-6-11)8-7-10(2)3/h9-11H,4-8H2,1-3H3
InChIKeyLHVWBUANCGRHPX-UHFFFAOYSA-N
XLogP3.19
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-ethyl-5-fluoro-N-(3-methylbutyl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-ethyl-5-fluoro-N-(3-methylbutyl)pyrimidin-4-amine (CID 133418246) is N-cyclopropyl-6-ethyl-5-fluoro-N-(3-methylbutyl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-ethyl-5-fluoro-N-(3-methylbutyl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-ethyl-5-fluoro-N-(3-methylbutyl)pyrimidin-4-amine is CCc1ncnc(N(CCC(C)C)C2CC2)c1F.
What is the InChIKey of N-cyclopropyl-6-ethyl-5-fluoro-N-(3-methylbutyl)pyrimidin-4-amine?
The InChIKey is LHVWBUANCGRHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-4-12-13(15)14(17-9-16-12)18(11-5-6-11)8-7-10(2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of N-cyclopropyl-6-ethyl-5-fluoro-N-(3-methylbutyl)pyrimidin-4-amine?
N-cyclopropyl-6-ethyl-5-fluoro-N-(3-methylbutyl)pyrimidin-4-amine has a molecular weight of 251.35 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-ethyl-5-fluoro-N-(3-methylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 133418246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).