6-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]pyrimidin-4-amine

C14H14ClF2N5O — CID 177307098

IUPAC6-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]pyrimidin-4-amine
SMILESNc1cc(-c2cc([C@@H]3COC[C@@H](C(F)F)N3)cc(Cl)n2)ncn1
InChIInChI=1S/C14H14ClF2N5O/c15-12-2-7(10-4-23-5-11(21-10)14(16)17)1-9(22-12)8-3-13(18)20-6-19-8/h1-3,6,10-11,14,21H,4-5H2,(H2,18,19,20)/t10-,11-/m0/s1
InChIKeyXSFGOYMGDVNQJN-QWRGUYRKSA-N
MW341.75 g/mol
LogP2.07
Rot. Bonds3

About 6-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]pyrimidin-4-amine

6-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]pyrimidin-4-amine (PubChem CID 177307098) has the molecular formula C14H14ClF2N5O and a molecular weight of 341.75 g/mol. Its IUPAC name is 6-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]pyrimidin-4-amine
PubChem CID177307098
Molecular FormulaC14H14ClF2N5O
Molecular Weight341.75 g/mol
Exact Mass341.09
IUPAC Name6-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]pyrimidin-4-amine
SMILESNc1cc(-c2cc([C@@H]3COC[C@@H](C(F)F)N3)cc(Cl)n2)ncn1
InChIInChI=1S/C14H14ClF2N5O/c15-12-2-7(10-4-23-5-11(21-10)14(16)17)1-9(22-12)8-3-13(18)20-6-19-8/h1-3,6,10-11,14,21H,4-5H2,(H2,18,19,20)/t10-,11-/m0/s1
InChIKeyXSFGOYMGDVNQJN-QWRGUYRKSA-N
XLogP2.07
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.75
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 6-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]pyrimidin-4-amine (CID 177307098) is 6-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 6-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]pyrimidin-4-amine is Nc1cc(-c2cc([C@@H]3COC[C@@H](C(F)F)N3)cc(Cl)n2)ncn1.
What is the InChIKey of 6-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is XSFGOYMGDVNQJN-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H14ClF2N5O/c15-12-2-7(10-4-23-5-11(21-10)14(16)17)1-9(22-12)8-3-13(18)20-6-19-8/h1-3,6,10-11,14,21H,4-5H2,(H2,18,19,20)/t10-,11-/m0/s1.
What are the key properties of 6-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]pyrimidin-4-amine?
6-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 341.75 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 177307098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).