[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopentylmethanone

C24H34N4O — CID 59160145

IUPAC[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCc2c(ncnc2NCC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C24H34N4O/c29-23(19-3-1-2-4-19)28-6-5-20-21(13-28)26-15-27-22(20)25-14-24-10-16-7-17(11-24)9-18(8-16)12-24/h15-19H,1-14H2,(H,25,26,27)
InChIKeyLJECDYBXDWUHDZ-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.18
Rot. Bonds4

About [4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopentylmethanone

[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopentylmethanone (PubChem CID 59160145) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is [4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopentylmethanone
PubChem CID59160145
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Name[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCc2c(ncnc2NCC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C24H34N4O/c29-23(19-3-1-2-4-19)28-6-5-20-21(13-28)26-15-27-22(20)25-14-24-10-16-7-17(11-24)9-18(8-16)12-24/h15-19H,1-14H2,(H,25,26,27)
InChIKeyLJECDYBXDWUHDZ-UHFFFAOYSA-N
XLogP4.18
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)adamantane-1-carboxamide
CID 659037
1-[4-(2-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4,4-difluoropiperidin-1-yl)ethanone
CID 59160117
1-[4-(2-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 59160147
1-[2-[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 59160344
N-(1-adamantylmethyl)-7-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-carboxamide
CID 59663452
2-(1-adamantyl)-N-[7-[1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
CID 59663605
N-[7-[1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide
CID 59663610
1-Adamantyl-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methanone
CID 133434272
1-Adamantyl-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 45940417
5-{3-[4-(dimethylamino)-5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-yl]-3-oxopropyl}-4,6-dimethylpyrimidin-2-ol
CID 56870615
1-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 92625505
2-(1-adamantyl)-N-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)acetamide
CID 11847668

Frequently Asked Questions

What is the IUPAC name of [4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopentylmethanone?
The IUPAC name of [4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopentylmethanone (CID 59160145) is [4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopentylmethanone?
The canonical SMILES for [4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopentylmethanone is O=C(C1CCCC1)N1CCc2c(ncnc2NCC23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of [4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopentylmethanone?
The InChIKey is LJECDYBXDWUHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O/c29-23(19-3-1-2-4-19)28-6-5-20-21(13-28)26-15-27-22(20)25-14-24-10-16-7-17(11-24)9-18(8-16)12-24/h15-19H,1-14H2,(H,25,26,27).
What are the key properties of [4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopentylmethanone?
[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopentylmethanone has a molecular weight of 394.56 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopentylmethanone is sourced from PubChem (CID 59160145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).