6-N-methyl-6-N-naphthalen-1-ylpyrido[2,3-d]pyrimidine-2,4,6-triamine

C18H16N6 — CID 71681191

IUPAC6-N-methyl-6-N-naphthalen-1-ylpyrido[2,3-d]pyrimidine-2,4,6-triamine
SMILESCN(c1cnc2nc(N)nc(N)c2c1)c1cccc2ccccc12
InChIInChI=1S/C18H16N6/c1-24(15-8-4-6-11-5-2-3-7-13(11)15)12-9-14-16(19)22-18(20)23-17(14)21-10-12/h2-10H,1H3,(H4,19,20,21,22,23)
InChIKeyQNASXWBMQABDSW-UHFFFAOYSA-N
MW316.37 g/mol
LogP3.11
Rot. Bonds2

About 6-N-methyl-6-N-naphthalen-1-ylpyrido[2,3-d]pyrimidine-2,4,6-triamine

6-N-methyl-6-N-naphthalen-1-ylpyrido[2,3-d]pyrimidine-2,4,6-triamine (PubChem CID 71681191) has the molecular formula C18H16N6 and a molecular weight of 316.37 g/mol. Its IUPAC name is 6-N-methyl-6-N-naphthalen-1-ylpyrido[2,3-d]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-methyl-6-N-naphthalen-1-ylpyrido[2,3-d]pyrimidine-2,4,6-triamine
PubChem CID71681191
Molecular FormulaC18H16N6
Molecular Weight316.37 g/mol
Exact Mass316.14
IUPAC Name6-N-methyl-6-N-naphthalen-1-ylpyrido[2,3-d]pyrimidine-2,4,6-triamine
SMILESCN(c1cnc2nc(N)nc(N)c2c1)c1cccc2ccccc12
InChIInChI=1S/C18H16N6/c1-24(15-8-4-6-11-5-2-3-7-13(11)15)12-9-14-16(19)22-18(20)23-17(14)21-10-12/h2-10H,1H3,(H4,19,20,21,22,23)
InChIKeyQNASXWBMQABDSW-UHFFFAOYSA-N
XLogP3.11
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-6-N-naphthalen-1-ylpyrido[2,3-d]pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-methyl-6-N-naphthalen-1-ylpyrido[2,3-d]pyrimidine-2,4,6-triamine (CID 71681191) is 6-N-methyl-6-N-naphthalen-1-ylpyrido[2,3-d]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-methyl-6-N-naphthalen-1-ylpyrido[2,3-d]pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-methyl-6-N-naphthalen-1-ylpyrido[2,3-d]pyrimidine-2,4,6-triamine is CN(c1cnc2nc(N)nc(N)c2c1)c1cccc2ccccc12.
What is the InChIKey of 6-N-methyl-6-N-naphthalen-1-ylpyrido[2,3-d]pyrimidine-2,4,6-triamine?
The InChIKey is QNASXWBMQABDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6/c1-24(15-8-4-6-11-5-2-3-7-13(11)15)12-9-14-16(19)22-18(20)23-17(14)21-10-12/h2-10H,1H3,(H4,19,20,21,22,23).
What are the key properties of 6-N-methyl-6-N-naphthalen-1-ylpyrido[2,3-d]pyrimidine-2,4,6-triamine?
6-N-methyl-6-N-naphthalen-1-ylpyrido[2,3-d]pyrimidine-2,4,6-triamine has a molecular weight of 316.37 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-6-N-naphthalen-1-ylpyrido[2,3-d]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 71681191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).