3-N,3-N-dimethyl-1-N-(pyrimidin-5-ylmethyl)benzene-1,3-diamine

C13H16N4 — CID 115376077

IUPAC3-N,3-N-dimethyl-1-N-(pyrimidin-5-ylmethyl)benzene-1,3-diamine
SMILESCN(C)c1cccc(NCc2cncnc2)c1
InChIInChI=1S/C13H16N4/c1-17(2)13-5-3-4-12(6-13)16-9-11-7-14-10-15-8-11/h3-8,10,16H,9H2,1-2H3
InChIKeyYKVQTVXLXJLAQT-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.15
Rot. Bonds4

About 3-N,3-N-dimethyl-1-N-(pyrimidin-5-ylmethyl)benzene-1,3-diamine

3-N,3-N-dimethyl-1-N-(pyrimidin-5-ylmethyl)benzene-1,3-diamine (PubChem CID 115376077) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1-N-(pyrimidin-5-ylmethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-1-N-(pyrimidin-5-ylmethyl)benzene-1,3-diamine
PubChem CID115376077
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name3-N,3-N-dimethyl-1-N-(pyrimidin-5-ylmethyl)benzene-1,3-diamine
SMILESCN(C)c1cccc(NCc2cncnc2)c1
InChIInChI=1S/C13H16N4/c1-17(2)13-5-3-4-12(6-13)16-9-11-7-14-10-15-8-11/h3-8,10,16H,9H2,1-2H3
InChIKeyYKVQTVXLXJLAQT-UHFFFAOYSA-N
XLogP2.15
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[(5-bromo-3-pyridinyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 113454201
1-N-[[4-(dimethylamino)phenyl]methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 82538778
4-N,4-N,2-trimethyl-1-N-(pyrimidin-5-ylmethyl)benzene-1,4-diamine
CID 62760453
N-[3-(pyrimidin-5-ylmethylamino)phenyl]acetamide
CID 55110274
3-methylsulfonyl-N-(pyrimidin-5-ylmethyl)aniline
CID 62758794
1-N-[(4-bromo-3-methylphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376211
methyl N-[3-(pyrimidin-5-ylmethylamino)phenyl]carbamate
CID 55109608
1-N-[(3-bromo-4-fluorophenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376523
1-N-[(2-fluorophenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 78913980
1-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 78913928
N-ethyl-3-(pyrimidin-5-ylmethylamino)benzamide
CID 62758960
3-(2-methoxyethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline
CID 62759745

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-1-N-(pyrimidin-5-ylmethyl)benzene-1,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-1-N-(pyrimidin-5-ylmethyl)benzene-1,3-diamine (CID 115376077) is 3-N,3-N-dimethyl-1-N-(pyrimidin-5-ylmethyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-1-N-(pyrimidin-5-ylmethyl)benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-1-N-(pyrimidin-5-ylmethyl)benzene-1,3-diamine is CN(C)c1cccc(NCc2cncnc2)c1.
What is the InChIKey of 3-N,3-N-dimethyl-1-N-(pyrimidin-5-ylmethyl)benzene-1,3-diamine?
The InChIKey is YKVQTVXLXJLAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-17(2)13-5-3-4-12(6-13)16-9-11-7-14-10-15-8-11/h3-8,10,16H,9H2,1-2H3.
What are the key properties of 3-N,3-N-dimethyl-1-N-(pyrimidin-5-ylmethyl)benzene-1,3-diamine?
3-N,3-N-dimethyl-1-N-(pyrimidin-5-ylmethyl)benzene-1,3-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-1-N-(pyrimidin-5-ylmethyl)benzene-1,3-diamine is sourced from PubChem (CID 115376077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).