6-(3-methoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine;6-(4-methoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine

C34H36N8O2 — CID 69214742

IUPAC6-(3-methoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine;6-(4-methoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine
SMILESCCCc1nc(N)nc2ccc(-c3ccc(OC)cc3)nc12.CCCc1nc(N)nc2ccc(-c3cccc(OC)c3)nc12
InChIInChI=1S/2C17H18N4O/c1-3-5-14-16-15(21-17(18)20-14)9-8-13(19-16)11-6-4-7-12(10-11)22-2;1-3-4-14-16-15(21-17(18)20-14)10-9-13(19-16)11-5-7-12(22-2)8-6-11/h4,6-10H,3,5H2,1-2H3,(H2,18,20,21);5-10H,3-4H2,1-2H3,(H2,18,20,21)
InChIKeyRSVJXERDMMGBPF-UHFFFAOYSA-N
MW588.72 g/mol
LogP6.47
Rot. Bonds8

About 6-(3-methoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine;6-(4-methoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine

6-(3-methoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine;6-(4-methoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine (PubChem CID 69214742) has the molecular formula C34H36N8O2 and a molecular weight of 588.72 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine;6-(4-methoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine;6-(4-methoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine
PubChem CID69214742
Molecular FormulaC34H36N8O2
Molecular Weight588.72 g/mol
Exact Mass588.30
IUPAC Name6-(3-methoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine;6-(4-methoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine
SMILESCCCc1nc(N)nc2ccc(-c3ccc(OC)cc3)nc12.CCCc1nc(N)nc2ccc(-c3cccc(OC)c3)nc12
InChIInChI=1S/2C17H18N4O/c1-3-5-14-16-15(21-17(18)20-14)9-8-13(19-16)11-6-4-7-12(10-11)22-2;1-3-4-14-16-15(21-17(18)20-14)10-9-13(19-16)11-5-7-12(22-2)8-6-11/h4,6-10H,3,5H2,1-2H3,(H2,18,20,21);5-10H,3-4H2,1-2H3,(H2,18,20,21)
InChIKeyRSVJXERDMMGBPF-UHFFFAOYSA-N
XLogP6.47
TPSA147.84 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.72
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine;6-(4-methoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 6-(3-methoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine;6-(4-methoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine (CID 69214742) is 6-(3-methoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine;6-(4-methoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 6-(3-methoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine;6-(4-methoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 6-(3-methoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine;6-(4-methoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine is CCCc1nc(N)nc2ccc(-c3ccc(OC)cc3)nc12.CCCc1nc(N)nc2ccc(-c3cccc(OC)c3)nc12.
What is the InChIKey of 6-(3-methoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine;6-(4-methoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is RSVJXERDMMGBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H18N4O/c1-3-5-14-16-15(21-17(18)20-14)9-8-13(19-16)11-6-4-7-12(10-11)22-2;1-3-4-14-16-15(21-17(18)20-14)10-9-13(19-16)11-5-7-12(22-2)8-6-11/h4,6-10H,3,5H2,1-2H3,(H2,18,20,21);5-10H,3-4H2,1-2H3,(H2,18,20,21).
What are the key properties of 6-(3-methoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine;6-(4-methoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine?
6-(3-methoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine;6-(4-methoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 588.72 g/mol, XLogP of 6.47, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine;6-(4-methoxyphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 69214742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).