2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine

C12H17ClFN3O — CID 79080901

IUPAC2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCN(c1nc(Cl)ncc1F)C(C)C1CC1
InChIInChI=1S/C12H17ClFN3O/c1-8(9-3-4-9)17(5-6-18-2)11-10(14)7-15-12(13)16-11/h7-9H,3-6H2,1-2H3
InChIKeyNYPVHIYJTRIHLQ-UHFFFAOYSA-N
MW273.74 g/mol
LogP2.52
Rot. Bonds6

About 2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine

2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine (PubChem CID 79080901) has the molecular formula C12H17ClFN3O and a molecular weight of 273.74 g/mol. Its IUPAC name is 2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine
PubChem CID79080901
Molecular FormulaC12H17ClFN3O
Molecular Weight273.74 g/mol
Exact Mass273.10
IUPAC Name2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCN(c1nc(Cl)ncc1F)C(C)C1CC1
InChIInChI=1S/C12H17ClFN3O/c1-8(9-3-4-9)17(5-6-18-2)11-10(14)7-15-12(13)16-11/h7-9H,3-6H2,1-2H3
InChIKeyNYPVHIYJTRIHLQ-UHFFFAOYSA-N
XLogP2.52
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine (CID 79080901) is 2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine is COCCN(c1nc(Cl)ncc1F)C(C)C1CC1.
What is the InChIKey of 2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine?
The InChIKey is NYPVHIYJTRIHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN3O/c1-8(9-3-4-9)17(5-6-18-2)11-10(14)7-15-12(13)16-11/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine?
2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine has a molecular weight of 273.74 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 79080901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).