(2R)-1-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-ethylhexan-1-one

C18H30N4O — CID 7256747

IUPAC(2R)-1-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-ethylhexan-1-one
SMILESCCCC[C@@H](CC)C(=O)N1CCc2nc(C)nc(N(C)C)c2C1
InChIInChI=1S/C18H30N4O/c1-6-8-9-14(7-2)18(23)22-11-10-16-15(12-22)17(21(4)5)20-13(3)19-16/h14H,6-12H2,1-5H3/t14-/m1/s1
InChIKeyIIXCBVPXIMJMDR-CQSZACIVSA-N
MW318.47 g/mol
LogP2.95
Rot. Bonds6

About (2R)-1-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-ethylhexan-1-one

(2R)-1-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-ethylhexan-1-one (PubChem CID 7256747) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is (2R)-1-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-ethylhexan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-ethylhexan-1-one
PubChem CID7256747
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name(2R)-1-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-ethylhexan-1-one
SMILESCCCC[C@@H](CC)C(=O)N1CCc2nc(C)nc(N(C)C)c2C1
InChIInChI=1S/C18H30N4O/c1-6-8-9-14(7-2)18(23)22-11-10-16-15(12-22)17(21(4)5)20-13(3)19-16/h14H,6-12H2,1-5H3/t14-/m1/s1
InChIKeyIIXCBVPXIMJMDR-CQSZACIVSA-N
XLogP2.95
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]heptan-1-one
CID 42788543
1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxybutan-1-one
CID 56884983
(4-tert-butylphenyl)-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 7283355
(2S)-1-[4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylbutan-1-one
CID 7413029
6-(2-ethylhexanoyl)-2-(4-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135534820
(3,5-dichlorophenyl)-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 7362629
(4-chlorophenyl)-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 4273923
1-[4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-diphenylethanone
CID 7271303
6-[(2R)-2-ethylhexanoyl]-2-(2-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135619250
1-[4-(dimethylamino)-2-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-2-ethoxyethanone
CID 97413479
[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-phenylphenyl)methanone
CID 7271526
N-benzyl-4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7288433

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-ethylhexan-1-one?
The IUPAC name of (2R)-1-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-ethylhexan-1-one (CID 7256747) is (2R)-1-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-ethylhexan-1-one.
What is the SMILES notation for (2R)-1-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-ethylhexan-1-one?
The canonical SMILES for (2R)-1-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-ethylhexan-1-one is CCCC[C@@H](CC)C(=O)N1CCc2nc(C)nc(N(C)C)c2C1.
What is the InChIKey of (2R)-1-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-ethylhexan-1-one?
The InChIKey is IIXCBVPXIMJMDR-CQSZACIVSA-N. The full InChI is InChI=1S/C18H30N4O/c1-6-8-9-14(7-2)18(23)22-11-10-16-15(12-22)17(21(4)5)20-13(3)19-16/h14H,6-12H2,1-5H3/t14-/m1/s1.
What are the key properties of (2R)-1-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-ethylhexan-1-one?
(2R)-1-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-ethylhexan-1-one has a molecular weight of 318.47 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-ethylhexan-1-one is sourced from PubChem (CID 7256747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).