(3R)-4-(6-chloro-2-methylpyrimidin-4-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine

C17H17ClN6O — CID 124882773

IUPAC(3R)-4-(6-chloro-2-methylpyrimidin-4-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine
SMILESCc1nc(Cl)cc(N2CCOC[C@H]2c2ncnn2-c2ccccc2)n1
InChIInChI=1S/C17H17ClN6O/c1-12-21-15(18)9-16(22-12)23-7-8-25-10-14(23)17-19-11-20-24(17)13-5-3-2-4-6-13/h2-6,9,11,14H,7-8,10H2,1H3/t14-/m0/s1
InChIKeyBDMILCYBPAVKAJ-AWEZNQCLSA-N
MW356.82 g/mol
LogP2.60
Rot. Bonds3

About (3R)-4-(6-chloro-2-methylpyrimidin-4-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine

(3R)-4-(6-chloro-2-methylpyrimidin-4-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 124882773) has the molecular formula C17H17ClN6O and a molecular weight of 356.82 g/mol. Its IUPAC name is (3R)-4-(6-chloro-2-methylpyrimidin-4-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name(3R)-4-(6-chloro-2-methylpyrimidin-4-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine
PubChem CID124882773
Molecular FormulaC17H17ClN6O
Molecular Weight356.82 g/mol
Exact Mass356.12
IUPAC Name(3R)-4-(6-chloro-2-methylpyrimidin-4-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine
SMILESCc1nc(Cl)cc(N2CCOC[C@H]2c2ncnn2-c2ccccc2)n1
InChIInChI=1S/C17H17ClN6O/c1-12-21-15(18)9-16(22-12)23-7-8-25-10-14(23)17-19-11-20-24(17)13-5-3-2-4-6-13/h2-6,9,11,14H,7-8,10H2,1H3/t14-/m0/s1
InChIKeyBDMILCYBPAVKAJ-AWEZNQCLSA-N
XLogP2.60
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.82
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-(6-chloro-2-methylpyrimidin-4-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of (3R)-4-(6-chloro-2-methylpyrimidin-4-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine (CID 124882773) is (3R)-4-(6-chloro-2-methylpyrimidin-4-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for (3R)-4-(6-chloro-2-methylpyrimidin-4-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for (3R)-4-(6-chloro-2-methylpyrimidin-4-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine is Cc1nc(Cl)cc(N2CCOC[C@H]2c2ncnn2-c2ccccc2)n1.
What is the InChIKey of (3R)-4-(6-chloro-2-methylpyrimidin-4-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is BDMILCYBPAVKAJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17ClN6O/c1-12-21-15(18)9-16(22-12)23-7-8-25-10-14(23)17-19-11-20-24(17)13-5-3-2-4-6-13/h2-6,9,11,14H,7-8,10H2,1H3/t14-/m0/s1.
What are the key properties of (3R)-4-(6-chloro-2-methylpyrimidin-4-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine?
(3R)-4-(6-chloro-2-methylpyrimidin-4-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 356.82 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(6-chloro-2-methylpyrimidin-4-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 124882773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).