[(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(3-methyl-2-pyridinyl)methanone

C18H23N5O2 — CID 124990143

IUPAC[(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(3-methyl-2-pyridinyl)methanone
SMILESCc1cc(N(C)C)nc([C@H]2COCCN2C(=O)c2ncccc2C)n1
InChIInChI=1S/C18H23N5O2/c1-12-6-5-7-19-16(12)18(24)23-8-9-25-11-14(23)17-20-13(2)10-15(21-17)22(3)4/h5-7,10,14H,8-9,11H2,1-4H3/t14-/m1/s1
InChIKeyOZORUKRUPOIEDK-CQSZACIVSA-N
MW341.42 g/mol
LogP1.77
Rot. Bonds3

About [(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(3-methyl-2-pyridinyl)methanone

[(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(3-methyl-2-pyridinyl)methanone (PubChem CID 124990143) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is [(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(3-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(3-methyl-2-pyridinyl)methanone
PubChem CID124990143
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name[(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(3-methyl-2-pyridinyl)methanone
SMILESCc1cc(N(C)C)nc([C@H]2COCCN2C(=O)c2ncccc2C)n1
InChIInChI=1S/C18H23N5O2/c1-12-6-5-7-19-16(12)18(24)23-8-9-25-11-14(23)17-20-13(2)10-15(21-17)22(3)4/h5-7,10,14H,8-9,11H2,1-4H3/t14-/m1/s1
InChIKeyOZORUKRUPOIEDK-CQSZACIVSA-N
XLogP1.77
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(3-methyl-2-pyridinyl)methanone?
The IUPAC name of [(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(3-methyl-2-pyridinyl)methanone (CID 124990143) is [(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(3-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(3-methyl-2-pyridinyl)methanone?
The canonical SMILES for [(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(3-methyl-2-pyridinyl)methanone is Cc1cc(N(C)C)nc([C@H]2COCCN2C(=O)c2ncccc2C)n1.
What is the InChIKey of [(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(3-methyl-2-pyridinyl)methanone?
The InChIKey is OZORUKRUPOIEDK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12-6-5-7-19-16(12)18(24)23-8-9-25-11-14(23)17-20-13(2)10-15(21-17)22(3)4/h5-7,10,14H,8-9,11H2,1-4H3/t14-/m1/s1.
What are the key properties of [(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(3-methyl-2-pyridinyl)methanone?
[(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(3-methyl-2-pyridinyl)methanone has a molecular weight of 341.42 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]-(3-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 124990143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).