5-methyl-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine-2,4-diamine

C18H15N5 — CID 91800808

IUPAC5-methyl-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc(-c2cccc3ccccc23)nc2nc(N)nc(N)c12
InChIInChI=1S/C18H15N5/c1-10-9-14(21-17-15(10)16(19)22-18(20)23-17)13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H4,19,20,21,22,23)
InChIKeyFCQKSXBXTPBLMB-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.32
Rot. Bonds1

About 5-methyl-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine-2,4-diamine

5-methyl-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 91800808) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-methyl-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID91800808
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC Name5-methyl-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc(-c2cccc3ccccc23)nc2nc(N)nc(N)c12
InChIInChI=1S/C18H15N5/c1-10-9-14(21-17-15(10)16(19)22-18(20)23-17)13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H4,19,20,21,22,23)
InChIKeyFCQKSXBXTPBLMB-UHFFFAOYSA-N
XLogP3.32
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine-2,4-diamine (CID 91800808) is 5-methyl-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine-2,4-diamine is Cc1cc(-c2cccc3ccccc23)nc2nc(N)nc(N)c12.
What is the InChIKey of 5-methyl-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is FCQKSXBXTPBLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c1-10-9-14(21-17-15(10)16(19)22-18(20)23-17)13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H4,19,20,21,22,23).
What are the key properties of 5-methyl-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine-2,4-diamine?
5-methyl-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 301.35 g/mol, XLogP of 3.32, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 91800808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).