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

C20H22N4O2 — CID 56861916

IUPAC[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(7-methyl-1-benzofuran-2-yl)methanone
SMILESCc1nc2c(c(N(C)C)n1)CCN(C(=O)c1cc3cccc(C)c3o1)C2
InChIInChI=1S/C20H22N4O2/c1-12-6-5-7-14-10-17(26-18(12)14)20(25)24-9-8-15-16(11-24)21-13(2)22-19(15)23(3)4/h5-7,10H,8-9,11H2,1-4H3
InChIKeyOWNPVIOGJFTXJR-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.10
Rot. Bonds2

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

[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(7-methyl-1-benzofuran-2-yl)methanone (PubChem CID 56861916) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(7-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(7-methyl-1-benzofuran-2-yl)methanone
PubChem CID56861916
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(7-methyl-1-benzofuran-2-yl)methanone
SMILESCc1nc2c(c(N(C)C)n1)CCN(C(=O)c1cc3cccc(C)c3o1)C2
InChIInChI=1S/C20H22N4O2/c1-12-6-5-7-14-10-17(26-18(12)14)20(25)24-9-8-15-16(11-24)21-13(2)22-19(15)23(3)4/h5-7,10H,8-9,11H2,1-4H3
InChIKeyOWNPVIOGJFTXJR-UHFFFAOYSA-N
XLogP3.10
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-(7-methyl-1-benzofuran-2-yl)methanone
CID 49014027
[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
2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]thiophene-3-sulfonamide
CID 56917443
2-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-methylpyran-4-one
CID 118787331
[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethylimidazol-4-yl)methanone
CID 118762273
[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-(3-chlorophenyl)-4-(7-methyl-1-benzofuran-2-carbonyl)piperazin-2-one
CID 70785542
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
[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 56882815
1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxybutan-1-one
CID 56884983
[4-(4-methoxyphenyl)piperazin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 48981638
[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-phenylphenyl)methanone
CID 7271526

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(7-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(7-methyl-1-benzofuran-2-yl)methanone (CID 56861916) is [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(7-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(7-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(7-methyl-1-benzofuran-2-yl)methanone is Cc1nc2c(c(N(C)C)n1)CCN(C(=O)c1cc3cccc(C)c3o1)C2.
What is the InChIKey of [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(7-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is OWNPVIOGJFTXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-12-6-5-7-14-10-17(26-18(12)14)20(25)24-9-8-15-16(11-24)21-13(2)22-19(15)23(3)4/h5-7,10H,8-9,11H2,1-4H3.
What are the key properties of [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(7-methyl-1-benzofuran-2-yl)methanone?
[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(7-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 350.42 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 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]-(7-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 56861916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).