6-[(3,4-dichloro-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine

C15H14Cl2N6 — CID 511809

IUPAC6-[(3,4-dichloro-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCN(Cc1cnc2nc(N)nc(N)c2c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2N6/c1-23(9-2-3-11(16)12(17)5-9)7-8-4-10-13(18)21-15(19)22-14(10)20-6-8/h2-6H,7H2,1H3,(H4,18,19,20,21,22)
InChIKeyBVOBMRMQGLHNQI-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.13
Rot. Bonds3

About 6-[(3,4-dichloro-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine

6-[(3,4-dichloro-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 511809) has the molecular formula C15H14Cl2N6 and a molecular weight of 349.23 g/mol. Its IUPAC name is 6-[(3,4-dichloro-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[(3,4-dichloro-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID511809
Molecular FormulaC15H14Cl2N6
Molecular Weight349.23 g/mol
Exact Mass348.07
IUPAC Name6-[(3,4-dichloro-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCN(Cc1cnc2nc(N)nc(N)c2c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2N6/c1-23(9-2-3-11(16)12(17)5-9)7-8-4-10-13(18)21-15(19)22-14(10)20-6-8/h2-6H,7H2,1H3,(H4,18,19,20,21,22)
InChIKeyBVOBMRMQGLHNQI-UHFFFAOYSA-N
XLogP3.13
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(3-chlorophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328373
6-{[(2,5-Dichlorophenyl)amino]methyl}pyrido[2,3-D]pyrimidine-2,4-Diamine
CID 472910
4-N-(3-chlorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328070
6-(2,6-Dichlorophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
CID 5328113
5-[4-(3,4-Dichlorophenyl)piperazin-1-Yl]pyrimidine-2,4-Diamine
CID 122164615
6-[(4-Chloro-2-methyl-anilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 470176
2-(3,5-Dichlorophenyl)-7-methylpyrido[2,3-d]pyrimidine
CID 44435034
N-(3-chlorophenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 929366
2-(3,5-Dichlorophenyl)pyrido[2,3-d]pyrimidine
CID 44435041
N~6~-Methyl-N~6~-Phenylpyrido[2,3-D]pyrimidine-2,4,6-Triamine
CID 71307952
6-[(3,4-Dichloroanilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 456893
6-[(3-Chloroanilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 462111

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dichloro-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-[(3,4-dichloro-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine (CID 511809) is 6-[(3,4-dichloro-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[(3,4-dichloro-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[(3,4-dichloro-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine is CN(Cc1cnc2nc(N)nc(N)c2c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 6-[(3,4-dichloro-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is BVOBMRMQGLHNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N6/c1-23(9-2-3-11(16)12(17)5-9)7-8-4-10-13(18)21-15(19)22-14(10)20-6-8/h2-6H,7H2,1H3,(H4,18,19,20,21,22).
What are the key properties of 6-[(3,4-dichloro-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
6-[(3,4-dichloro-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 349.23 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dichloro-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 511809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).