N-(2,5-dimethoxyphenyl)-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

C23H26N4O3 — CID 20960513

IUPACN-(2,5-dimethoxyphenyl)-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCOc1cccc(CN2CCc3nc(Nc4cc(OC)ccc4OC)ncc3C2)c1
InChIInChI=1S/C23H26N4O3/c1-28-18-6-4-5-16(11-18)14-27-10-9-20-17(15-27)13-24-23(25-20)26-21-12-19(29-2)7-8-22(21)30-3/h4-8,11-13H,9-10,14-15H2,1-3H3,(H,24,25,26)
InChIKeyPYWIUUQSULLPBD-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.80
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

N-(2,5-dimethoxyphenyl)-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 20960513) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID20960513
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-(2,5-dimethoxyphenyl)-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCOc1cccc(CN2CCc3nc(Nc4cc(OC)ccc4OC)ncc3C2)c1
InChIInChI=1S/C23H26N4O3/c1-28-18-6-4-5-16(11-18)14-27-10-9-20-17(15-27)13-24-23(25-20)26-21-12-19(29-2)7-8-22(21)30-3/h4-8,11-13H,9-10,14-15H2,1-3H3,(H,24,25,26)
InChIKeyPYWIUUQSULLPBD-UHFFFAOYSA-N
XLogP3.80
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 20960513) is N-(2,5-dimethoxyphenyl)-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is COc1cccc(CN2CCc3nc(Nc4cc(OC)ccc4OC)ncc3C2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is PYWIUUQSULLPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-28-18-6-4-5-16(11-18)14-27-10-9-20-17(15-27)13-24-23(25-20)26-21-12-19(29-2)7-8-22(21)30-3/h4-8,11-13H,9-10,14-15H2,1-3H3,(H,24,25,26).
What are the key properties of N-(2,5-dimethoxyphenyl)-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
N-(2,5-dimethoxyphenyl)-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 406.49 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 20960513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).