4-N-[3-(dimethylamino)phenyl]-4-N-methylpyrimidine-4,6-diamine

C13H17N5 — CID 174682956

IUPAC4-N-[3-(dimethylamino)phenyl]-4-N-methylpyrimidine-4,6-diamine
SMILESCN(C)c1cccc(N(C)c2cc(N)ncn2)c1
InChIInChI=1S/C13H17N5/c1-17(2)10-5-4-6-11(7-10)18(3)13-8-12(14)15-9-16-13/h4-9H,1-3H3,(H2,14,15,16)
InChIKeyJURWLRCOYDJCMQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.89
Rot. Bonds3

About 4-N-[3-(dimethylamino)phenyl]-4-N-methylpyrimidine-4,6-diamine

4-N-[3-(dimethylamino)phenyl]-4-N-methylpyrimidine-4,6-diamine (PubChem CID 174682956) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)phenyl]-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)phenyl]-4-N-methylpyrimidine-4,6-diamine
PubChem CID174682956
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name4-N-[3-(dimethylamino)phenyl]-4-N-methylpyrimidine-4,6-diamine
SMILESCN(C)c1cccc(N(C)c2cc(N)ncn2)c1
InChIInChI=1S/C13H17N5/c1-17(2)10-5-4-6-11(7-10)18(3)13-8-12(14)15-9-16-13/h4-9H,1-3H3,(H2,14,15,16)
InChIKeyJURWLRCOYDJCMQ-UHFFFAOYSA-N
XLogP1.89
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[3-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 66669910
N,6-dimethyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 143158755
ethane;1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine
CID 90858464
4-[3-(dimethylamino)phenyl]pyridin-2-amine
CID 82556008
N,6-dimethyl-N-(3-methylphenyl)pyrimidin-4-amine;propane
CID 143158754
6-hydrazinyl-N-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 80908091
4-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80765054
3-[methyl-(6-methylpyrimidin-4-yl)amino]benzenethiol;propane
CID 143158787
2-N-methyl-2-N-(3-methylphenyl)pyridine-2,4-diamine
CID 62002618
4-N-[3-(dimethylamino)phenyl]-6-propoxypyrimidine-4,5-diamine
CID 115376024
3-[(6-ethylpyrimidin-4-yl)-methylamino]benzenecarboximidamide
CID 62970344
N-[3-(aminomethyl)phenyl]-N-methyl-6-propoxypyrimidin-4-amine
CID 66334203

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)phenyl]-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)phenyl]-4-N-methylpyrimidine-4,6-diamine (CID 174682956) is 4-N-[3-(dimethylamino)phenyl]-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)phenyl]-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)phenyl]-4-N-methylpyrimidine-4,6-diamine is CN(C)c1cccc(N(C)c2cc(N)ncn2)c1.
What is the InChIKey of 4-N-[3-(dimethylamino)phenyl]-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is JURWLRCOYDJCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-17(2)10-5-4-6-11(7-10)18(3)13-8-12(14)15-9-16-13/h4-9H,1-3H3,(H2,14,15,16).
What are the key properties of 4-N-[3-(dimethylamino)phenyl]-4-N-methylpyrimidine-4,6-diamine?
4-N-[3-(dimethylamino)phenyl]-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 243.31 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)phenyl]-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 174682956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).