6-N-methyl-6-N-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine

C17H20N6O3 — CID 71681188

IUPAC6-N-methyl-6-N-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine
SMILESCOc1cc(N(C)c2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC
InChIInChI=1S/C17H20N6O3/c1-23(9-6-12(24-2)14(26-4)13(7-9)25-3)10-5-11-15(18)21-17(19)22-16(11)20-8-10/h5-8H,1-4H3,(H4,18,19,20,21,22)
InChIKeyLXUURPGAYDBQPD-UHFFFAOYSA-N
MW356.39 g/mol
LogP1.98
Rot. Bonds5

About 6-N-methyl-6-N-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine

6-N-methyl-6-N-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine (PubChem CID 71681188) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is 6-N-methyl-6-N-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-methyl-6-N-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine
PubChem CID71681188
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC Name6-N-methyl-6-N-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine
SMILESCOc1cc(N(C)c2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC
InChIInChI=1S/C17H20N6O3/c1-23(9-6-12(24-2)14(26-4)13(7-9)25-3)10-5-11-15(18)21-17(19)22-16(11)20-8-10/h5-8H,1-4H3,(H4,18,19,20,21,22)
InChIKeyLXUURPGAYDBQPD-UHFFFAOYSA-N
XLogP1.98
TPSA121.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-6-N-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-methyl-6-N-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine (CID 71681188) is 6-N-methyl-6-N-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-methyl-6-N-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-methyl-6-N-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine is COc1cc(N(C)c2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC.
What is the InChIKey of 6-N-methyl-6-N-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine?
The InChIKey is LXUURPGAYDBQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-23(9-6-12(24-2)14(26-4)13(7-9)25-3)10-5-11-15(18)21-17(19)22-16(11)20-8-10/h5-8H,1-4H3,(H4,18,19,20,21,22).
What are the key properties of 6-N-methyl-6-N-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine?
6-N-methyl-6-N-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine has a molecular weight of 356.39 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-6-N-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 71681188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).