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

C25H28Cl2N4O — CID 59160215

IUPAC[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)cc(Cl)c1)N1CCc2c(ncnc2NCC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C25H28Cl2N4O/c26-19-6-18(7-20(27)8-19)24(32)31-2-1-21-22(12-31)29-14-30-23(21)28-13-25-9-15-3-16(10-25)5-17(4-15)11-25/h6-8,14-17H,1-5,9-13H2,(H,28,29,30)
InChIKeyOVHZUYFHRVUROT-UHFFFAOYSA-N
MW471.43 g/mol
LogP5.61
Rot. Bonds4

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

[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dichlorophenyl)methanone (PubChem CID 59160215) has the molecular formula C25H28Cl2N4O and a molecular weight of 471.43 g/mol. Its IUPAC name is [4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dichlorophenyl)methanone
PubChem CID59160215
Molecular FormulaC25H28Cl2N4O
Molecular Weight471.43 g/mol
Exact Mass470.16
IUPAC Name[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)cc(Cl)c1)N1CCc2c(ncnc2NCC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C25H28Cl2N4O/c26-19-6-18(7-20(27)8-19)24(32)31-2-1-21-22(12-31)29-14-30-23(21)28-13-25-9-15-3-16(10-25)5-17(4-15)11-25/h6-8,14-17H,1-5,9-13H2,(H,28,29,30)
InChIKeyOVHZUYFHRVUROT-UHFFFAOYSA-N
XLogP5.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.43
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dichlorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-chloro-5-fluorophenyl)methanone
CID 59160184
[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[3-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 59160100
[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopentylmethanone
CID 59160145
2-(1-adamantyl)-N-[7-(3-chlorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
CID 59663619
2-(1-adamantyl)-N-[7-(3,4-difluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
CID 59663239
3-[4-[(3-fluoro-1-adamantyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]benzonitrile
CID 59160475
N-(1-adamantylmethyl)-7-(3,4-dichlorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 59160276
N-(1-adamantylmethyl)-7-(3-chloro-4-fluorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 59160371
1-[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-benzylpiperidin-1-yl)ethanone
CID 59160422
4-[4-[[2-(1-adamantyl)-2-hydroxyethyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]benzonitrile
CID 59160040
[4-[[2-hydroxy-2-(3-tricyclo[3.3.1.03,7]nonanyl)ethyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-phenylmethanone
CID 143422483
N-(1-adamantylmethyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 59160250

Frequently Asked Questions

What is the IUPAC name of [4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dichlorophenyl)methanone?
The IUPAC name of [4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dichlorophenyl)methanone (CID 59160215) is [4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dichlorophenyl)methanone.
What is the SMILES notation for [4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dichlorophenyl)methanone?
The canonical SMILES for [4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dichlorophenyl)methanone is O=C(c1cc(Cl)cc(Cl)c1)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]-(3,5-dichlorophenyl)methanone?
The InChIKey is OVHZUYFHRVUROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2N4O/c26-19-6-18(7-20(27)8-19)24(32)31-2-1-21-22(12-31)29-14-30-23(21)28-13-25-9-15-3-16(10-25)5-17(4-15)11-25/h6-8,14-17H,1-5,9-13H2,(H,28,29,30).
What are the key properties of [4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dichlorophenyl)methanone?
[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dichlorophenyl)methanone has a molecular weight of 471.43 g/mol, XLogP of 5.61, 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]-(3,5-dichlorophenyl)methanone is sourced from PubChem (CID 59160215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).