[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethylimidazol-4-yl)methanone

C16H22N6O — CID 118762273

IUPAC[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethylimidazol-4-yl)methanone
SMILESCc1nc2c(c(N(C)C)n1)CCN(C(=O)c1c(C)ncn1C)C2
InChIInChI=1S/C16H22N6O/c1-10-14(21(5)9-17-10)16(23)22-7-6-12-13(8-22)18-11(2)19-15(12)20(3)4/h9H,6-8H2,1-5H3
InChIKeyXOBYNPAGOBVTOZ-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.09
Rot. Bonds2

About [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethylimidazol-4-yl)methanone

[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethylimidazol-4-yl)methanone (PubChem CID 118762273) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethylimidazol-4-yl)methanone
PubChem CID118762273
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethylimidazol-4-yl)methanone
SMILESCc1nc2c(c(N(C)C)n1)CCN(C(=O)c1c(C)ncn1C)C2
InChIInChI=1S/C16H22N6O/c1-10-14(21(5)9-17-10)16(23)22-7-6-12-13(8-22)18-11(2)19-15(12)20(3)4/h9H,6-8H2,1-5H3
InChIKeyXOBYNPAGOBVTOZ-UHFFFAOYSA-N
XLogP1.09
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 118780550
[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 56870475
1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxybutan-1-one
CID 56884983
2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]thiophene-3-sulfonamide
CID 56917443
[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 56861916
1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone
CID 56880587
1-[3-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-6-methylpyridin-2-one
CID 56879087
(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
N-[(2R)-1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 95477022
(4-tert-butylphenyl)-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 7283355
1-[3-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 56869932

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethylimidazol-4-yl)methanone?
The IUPAC name of [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethylimidazol-4-yl)methanone (CID 118762273) is [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethylimidazol-4-yl)methanone.
What is the SMILES notation for [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethylimidazol-4-yl)methanone?
The canonical SMILES for [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethylimidazol-4-yl)methanone is Cc1nc2c(c(N(C)C)n1)CCN(C(=O)c1c(C)ncn1C)C2.
What is the InChIKey of [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethylimidazol-4-yl)methanone?
The InChIKey is XOBYNPAGOBVTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-10-14(21(5)9-17-10)16(23)22-7-6-12-13(8-22)18-11(2)19-15(12)20(3)4/h9H,6-8H2,1-5H3.
What are the key properties of [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethylimidazol-4-yl)methanone?
[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethylimidazol-4-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethylimidazol-4-yl)methanone is sourced from PubChem (CID 118762273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).