N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine

C15H16ClFN4O2 — CID 155568277

IUPACN-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(N3CCOCC3)ncc2F)cc1Cl
InChIInChI=1S/C15H16ClFN4O2/c1-22-13-3-2-10(8-11(13)16)19-14-12(17)9-18-15(20-14)21-4-6-23-7-5-21/h2-3,8-9H,4-7H2,1H3,(H,18,19,20)
InChIKeyAVLMMCGZPRSKSO-UHFFFAOYSA-N
MW338.77 g/mol
LogP2.86
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine

N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 155568277) has the molecular formula C15H16ClFN4O2 and a molecular weight of 338.77 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID155568277
Molecular FormulaC15H16ClFN4O2
Molecular Weight338.77 g/mol
Exact Mass338.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(N3CCOCC3)ncc2F)cc1Cl
InChIInChI=1S/C15H16ClFN4O2/c1-22-13-3-2-10(8-11(13)16)19-14-12(17)9-18-15(20-14)21-4-6-23-7-5-21/h2-3,8-9H,4-7H2,1H3,(H,18,19,20)
InChIKeyAVLMMCGZPRSKSO-UHFFFAOYSA-N
XLogP2.86
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine (CID 155568277) is N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine is COc1ccc(Nc2nc(N3CCOCC3)ncc2F)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is AVLMMCGZPRSKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN4O2/c1-22-13-3-2-10(8-11(13)16)19-14-12(17)9-18-15(20-14)21-4-6-23-7-5-21/h2-3,8-9H,4-7H2,1H3,(H,18,19,20).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine?
N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 338.77 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 155568277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).