7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine

C14H11Cl2N5 — CID 15983725

IUPAC7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N)nc2nc(-c3ccc(Cl)cc3Cl)ccc12
InChIInChI=1S/C14H11Cl2N5/c1-18-12-9-4-5-11(19-13(9)21-14(17)20-12)8-3-2-7(15)6-10(8)16/h2-6H,1H3,(H3,17,18,19,20,21)
InChIKeyPLAWBWBSRWJGBO-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.62
Rot. Bonds2

About 7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine

7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 15983725) has the molecular formula C14H11Cl2N5 and a molecular weight of 320.18 g/mol. Its IUPAC name is 7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID15983725
Molecular FormulaC14H11Cl2N5
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC Name7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N)nc2nc(-c3ccc(Cl)cc3Cl)ccc12
InChIInChI=1S/C14H11Cl2N5/c1-18-12-9-4-5-11(19-13(9)21-14(17)20-12)8-3-2-7(15)6-10(8)16/h2-6H,1H3,(H3,17,18,19,20,21)
InChIKeyPLAWBWBSRWJGBO-UHFFFAOYSA-N
XLogP3.62
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine (CID 15983725) is 7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine is CNc1nc(N)nc2nc(-c3ccc(Cl)cc3Cl)ccc12.
What is the InChIKey of 7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is PLAWBWBSRWJGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5/c1-18-12-9-4-5-11(19-13(9)21-14(17)20-12)8-3-2-7(15)6-10(8)16/h2-6H,1H3,(H3,17,18,19,20,21).
What are the key properties of 7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 320.18 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 15983725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).