6-N-benzyl-4-N,4-N-dimethylpyrimidine-4,6-diamine

C13H16N4 — CID 102080311

IUPAC6-N-benzyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(NCc2ccccc2)ncn1
InChIInChI=1S/C13H16N4/c1-17(2)13-8-12(15-10-16-13)14-9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,14,15,16)
InChIKeyIPKNZEDRHROYKP-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.15
Rot. Bonds4

About 6-N-benzyl-4-N,4-N-dimethylpyrimidine-4,6-diamine

6-N-benzyl-4-N,4-N-dimethylpyrimidine-4,6-diamine (PubChem CID 102080311) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 6-N-benzyl-4-N,4-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-benzyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
PubChem CID102080311
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name6-N-benzyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(NCc2ccccc2)ncn1
InChIInChI=1S/C13H16N4/c1-17(2)13-8-12(15-10-16-13)14-9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,14,15,16)
InChIKeyIPKNZEDRHROYKP-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

N-[6-(benzylamino)pyrimidin-4-yl]-N-methylnitrous amide
CID 102450371
4-N-methyl-4-N-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112860925
6-N-[(6-methoxy-3-pyridinyl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122282197
benzyl 2-[[6-(dimethylamino)pyrimidin-4-yl]amino]acetate
CID 122282164
4-N-benzylpyrimidine-4,6-diamine
CID 3031503
4-N-benzyl-4-N-ethyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859705
4-N-ethyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112859221
4-N-ethyl-4-N-phenyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860780
6-N-benzyl-4-N-(2,6-dimethylphenyl)pyrimidine-4,6-diamine
CID 112858793
4-N-benzyl-4-N-propan-2-yl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860753
6-N-[3-(dimethylamino)propyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281911
6-N-benzyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112858799

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-benzyl-4-N,4-N-dimethylpyrimidine-4,6-diamine (CID 102080311) is 6-N-benzyl-4-N,4-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-benzyl-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-benzyl-4-N,4-N-dimethylpyrimidine-4,6-diamine is CN(C)c1cc(NCc2ccccc2)ncn1.
What is the InChIKey of 6-N-benzyl-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is IPKNZEDRHROYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-17(2)13-8-12(15-10-16-13)14-9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,14,15,16).
What are the key properties of 6-N-benzyl-4-N,4-N-dimethylpyrimidine-4,6-diamine?
6-N-benzyl-4-N,4-N-dimethylpyrimidine-4,6-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 6-N-benzyl-4-N,4-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 102080311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).