[(2R)-2-(4-methylpentyl)morpholin-4-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone

C20H26N4O2 — CID 95558114

IUPAC[(2R)-2-(4-methylpentyl)morpholin-4-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
SMILESCC(C)CCC[C@@H]1CN(C(=O)c2cnc(-c3cccnc3)nc2)CCO1
InChIInChI=1S/C20H26N4O2/c1-15(2)5-3-7-18-14-24(9-10-26-18)20(25)17-12-22-19(23-13-17)16-6-4-8-21-11-16/h4,6,8,11-13,15,18H,3,5,7,9-10,14H2,1-2H3/t18-/m1/s1
InChIKeyGSDSFYLYORSPQU-GOSISDBHSA-N
MW354.45 g/mol
LogP3.21
Rot. Bonds6

About [(2R)-2-(4-methylpentyl)morpholin-4-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone

[(2R)-2-(4-methylpentyl)morpholin-4-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone (PubChem CID 95558114) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is [(2R)-2-(4-methylpentyl)morpholin-4-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(4-methylpentyl)morpholin-4-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
PubChem CID95558114
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name[(2R)-2-(4-methylpentyl)morpholin-4-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
SMILESCC(C)CCC[C@@H]1CN(C(=O)c2cnc(-c3cccnc3)nc2)CCO1
InChIInChI=1S/C20H26N4O2/c1-15(2)5-3-7-18-14-24(9-10-26-18)20(25)17-12-22-19(23-13-17)16-6-4-8-21-11-16/h4,6,8,11-13,15,18H,3,5,7,9-10,14H2,1-2H3/t18-/m1/s1
InChIKeyGSDSFYLYORSPQU-GOSISDBHSA-N
XLogP3.21
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methylpentyl)morpholin-4-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 56878736
[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 95553259
[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 42377336
2H-benzotriazol-5-yl-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
CID 42519260
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 156605241
(2-methoxy-6-methylphenyl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
CID 56875364
2-methyl-1-[(2R)-2-(4-methylpentyl)morpholin-4-yl]propan-1-one
CID 95225161
methyl 2-[4-(pyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79806240
(2,5-dimethylphenyl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
CID 95556503
(5-methoxyfuran-2-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
CID 45182494
3-chloro-5-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 56866305
1-[2-(3-phenylpropyl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 45214839

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-methylpentyl)morpholin-4-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone?
The IUPAC name of [(2R)-2-(4-methylpentyl)morpholin-4-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone (CID 95558114) is [(2R)-2-(4-methylpentyl)morpholin-4-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(2R)-2-(4-methylpentyl)morpholin-4-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone?
The canonical SMILES for [(2R)-2-(4-methylpentyl)morpholin-4-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone is CC(C)CCC[C@@H]1CN(C(=O)c2cnc(-c3cccnc3)nc2)CCO1.
What is the InChIKey of [(2R)-2-(4-methylpentyl)morpholin-4-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone?
The InChIKey is GSDSFYLYORSPQU-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15(2)5-3-7-18-14-24(9-10-26-18)20(25)17-12-22-19(23-13-17)16-6-4-8-21-11-16/h4,6,8,11-13,15,18H,3,5,7,9-10,14H2,1-2H3/t18-/m1/s1.
What are the key properties of [(2R)-2-(4-methylpentyl)morpholin-4-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone?
[(2R)-2-(4-methylpentyl)morpholin-4-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone has a molecular weight of 354.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-methylpentyl)morpholin-4-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 95558114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).