2-[3-chloro-5-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]phenyl]pyrimidin-5-amine

C15H15ClF2N4O — CID 177307164

IUPAC2-[3-chloro-5-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]phenyl]pyrimidin-5-amine
SMILESNc1cnc(-c2cc(Cl)cc([C@@H]3COCC(C(F)F)N3)c2)nc1
InChIInChI=1S/C15H15ClF2N4O/c16-10-2-8(12-6-23-7-13(22-12)14(17)18)1-9(3-10)15-20-4-11(19)5-21-15/h1-5,12-14,22H,6-7,19H2/t12-,13?/m0/s1
InChIKeyXUUKHNDCVFRUFQ-UEWDXFNNSA-N
MW340.76 g/mol
LogP2.67
Rot. Bonds3

About 2-[3-chloro-5-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]phenyl]pyrimidin-5-amine

2-[3-chloro-5-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]phenyl]pyrimidin-5-amine (PubChem CID 177307164) has the molecular formula C15H15ClF2N4O and a molecular weight of 340.76 g/mol. Its IUPAC name is 2-[3-chloro-5-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]phenyl]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[3-chloro-5-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]phenyl]pyrimidin-5-amine
PubChem CID177307164
Molecular FormulaC15H15ClF2N4O
Molecular Weight340.76 g/mol
Exact Mass340.09
IUPAC Name2-[3-chloro-5-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]phenyl]pyrimidin-5-amine
SMILESNc1cnc(-c2cc(Cl)cc([C@@H]3COCC(C(F)F)N3)c2)nc1
InChIInChI=1S/C15H15ClF2N4O/c16-10-2-8(12-6-23-7-13(22-12)14(17)18)1-9(3-10)15-20-4-11(19)5-21-15/h1-5,12-14,22H,6-7,19H2/t12-,13?/m0/s1
InChIKeyXUUKHNDCVFRUFQ-UEWDXFNNSA-N
XLogP2.67
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.76
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-chloro-5-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]phenyl]pyrimidin-5-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 2-[3-chloro-5-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]phenyl]pyrimidin-5-amine?
The IUPAC name of 2-[3-chloro-5-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]phenyl]pyrimidin-5-amine (CID 177307164) is 2-[3-chloro-5-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]phenyl]pyrimidin-5-amine.
What is the SMILES notation for 2-[3-chloro-5-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]phenyl]pyrimidin-5-amine?
The canonical SMILES for 2-[3-chloro-5-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]phenyl]pyrimidin-5-amine is Nc1cnc(-c2cc(Cl)cc([C@@H]3COCC(C(F)F)N3)c2)nc1.
What is the InChIKey of 2-[3-chloro-5-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]phenyl]pyrimidin-5-amine?
The InChIKey is XUUKHNDCVFRUFQ-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H15ClF2N4O/c16-10-2-8(12-6-23-7-13(22-12)14(17)18)1-9(3-10)15-20-4-11(19)5-21-15/h1-5,12-14,22H,6-7,19H2/t12-,13?/m0/s1.
What are the key properties of 2-[3-chloro-5-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]phenyl]pyrimidin-5-amine?
2-[3-chloro-5-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]phenyl]pyrimidin-5-amine has a molecular weight of 340.76 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]phenyl]pyrimidin-5-amine is sourced from PubChem (CID 177307164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).