3-N,3-N-dimethyl-1-N-pyrido[2,3-d]pyrimidin-4-ylbenzene-1,3-diamine

C15H15N5 — CID 110435229

IUPAC3-N,3-N-dimethyl-1-N-pyrido[2,3-d]pyrimidin-4-ylbenzene-1,3-diamine
SMILESCN(C)c1cccc(Nc2ncnc3ncccc23)c1
InChIInChI=1S/C15H15N5/c1-20(2)12-6-3-5-11(9-12)19-15-13-7-4-8-16-14(13)17-10-18-15/h3-10H,1-2H3,(H,16,17,18,19)
InChIKeyMIEOUJAVEFTDKK-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.83
Rot. Bonds3

About 3-N,3-N-dimethyl-1-N-pyrido[2,3-d]pyrimidin-4-ylbenzene-1,3-diamine

3-N,3-N-dimethyl-1-N-pyrido[2,3-d]pyrimidin-4-ylbenzene-1,3-diamine (PubChem CID 110435229) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1-N-pyrido[2,3-d]pyrimidin-4-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-1-N-pyrido[2,3-d]pyrimidin-4-ylbenzene-1,3-diamine
PubChem CID110435229
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name3-N,3-N-dimethyl-1-N-pyrido[2,3-d]pyrimidin-4-ylbenzene-1,3-diamine
SMILESCN(C)c1cccc(Nc2ncnc3ncccc23)c1
InChIInChI=1S/C15H15N5/c1-20(2)12-6-3-5-11(9-12)19-15-13-7-4-8-16-14(13)17-10-18-15/h3-10H,1-2H3,(H,16,17,18,19)
InChIKeyMIEOUJAVEFTDKK-UHFFFAOYSA-N
XLogP2.83
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine
CID 115376029
N-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 110435174
1-N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 113297977
N-(4-bromophenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 110435165
4-[3-(dimethylamino)anilino]pyrrolo[2,3-d]pyrimidine-7-carboxylic acid
CID 69034806
4-N-[3-(dimethylamino)phenyl]-6-propoxypyrimidine-4,5-diamine
CID 115376024
3-N,3-N-dimethyl-1-N-pyridin-3-ylbenzene-1,3-diamine
CID 82537509
4-N-[3-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 66669910
1-N-(6-chloropyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 79033222
N-(5-chloro-2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 110435164
N-[4-[[8-[3-(dimethylamino)anilino]-7H-purin-6-yl]amino]phenyl]acetamide
CID 117088567
3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine
CID 115376107

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-1-N-pyrido[2,3-d]pyrimidin-4-ylbenzene-1,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-1-N-pyrido[2,3-d]pyrimidin-4-ylbenzene-1,3-diamine (CID 110435229) is 3-N,3-N-dimethyl-1-N-pyrido[2,3-d]pyrimidin-4-ylbenzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-1-N-pyrido[2,3-d]pyrimidin-4-ylbenzene-1,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-1-N-pyrido[2,3-d]pyrimidin-4-ylbenzene-1,3-diamine is CN(C)c1cccc(Nc2ncnc3ncccc23)c1.
What is the InChIKey of 3-N,3-N-dimethyl-1-N-pyrido[2,3-d]pyrimidin-4-ylbenzene-1,3-diamine?
The InChIKey is MIEOUJAVEFTDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-20(2)12-6-3-5-11(9-12)19-15-13-7-4-8-16-14(13)17-10-18-15/h3-10H,1-2H3,(H,16,17,18,19).
What are the key properties of 3-N,3-N-dimethyl-1-N-pyrido[2,3-d]pyrimidin-4-ylbenzene-1,3-diamine?
3-N,3-N-dimethyl-1-N-pyrido[2,3-d]pyrimidin-4-ylbenzene-1,3-diamine has a molecular weight of 265.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-1-N-pyrido[2,3-d]pyrimidin-4-ylbenzene-1,3-diamine is sourced from PubChem (CID 110435229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).