N-(1-adamantylmethyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C26H34N4O — CID 59160250

IUPACN-(1-adamantylmethyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(CN2CCc3c(ncnc3NCC34CC5CC(CC(C5)C3)C4)C2)cc1
InChIInChI=1S/C26H34N4O/c1-31-22-4-2-18(3-5-22)14-30-7-6-23-24(15-30)28-17-29-25(23)27-16-26-11-19-8-20(12-26)10-21(9-19)13-26/h2-5,17,19-21H,6-16H2,1H3,(H,27,28,29)
InChIKeyGZERYYANLUJQFG-UHFFFAOYSA-N
MW418.59 g/mol
LogP4.67
Rot. Bonds6

About N-(1-adamantylmethyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

N-(1-adamantylmethyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 59160250) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID59160250
Molecular FormulaC26H34N4O
Molecular Weight418.59 g/mol
Exact Mass418.27
IUPAC NameN-(1-adamantylmethyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(CN2CCc3c(ncnc3NCC34CC5CC(CC(C5)C3)C4)C2)cc1
InChIInChI=1S/C26H34N4O/c1-31-22-4-2-18(3-5-22)14-30-7-6-23-24(15-30)28-17-29-25(23)27-16-26-11-19-8-20(12-26)10-21(9-19)13-26/h2-5,17,19-21H,6-16H2,1H3,(H,27,28,29)
InChIKeyGZERYYANLUJQFG-UHFFFAOYSA-N
XLogP4.67
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(1-adamantylmethyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 59160250) is N-(1-adamantylmethyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-adamantylmethyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-adamantylmethyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is COc1ccc(CN2CCc3c(ncnc3NCC34CC5CC(CC(C5)C3)C4)C2)cc1.
What is the InChIKey of N-(1-adamantylmethyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is GZERYYANLUJQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O/c1-31-22-4-2-18(3-5-22)14-30-7-6-23-24(15-30)28-17-29-25(23)27-16-26-11-19-8-20(12-26)10-21(9-19)13-26/h2-5,17,19-21H,6-16H2,1H3,(H,27,28,29).
What are the key properties of N-(1-adamantylmethyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
N-(1-adamantylmethyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 418.59 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 59160250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).