4-N-hexan-3-yl-6-N,5-dimethylpyrimidine-4,6-diamine

C12H22N4 — CID 80821693

IUPAC4-N-hexan-3-yl-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCCC(CC)Nc1ncnc(NC)c1C
InChIInChI=1S/C12H22N4/c1-5-7-10(6-2)16-12-9(3)11(13-4)14-8-15-12/h8,10H,5-7H2,1-4H3,(H2,13,14,15,16)
InChIKeyMMEQIZKKPYTTBM-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.82
Rot. Bonds6

About 4-N-hexan-3-yl-6-N,5-dimethylpyrimidine-4,6-diamine

4-N-hexan-3-yl-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80821693) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-N-hexan-3-yl-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-hexan-3-yl-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80821693
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-N-hexan-3-yl-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCCC(CC)Nc1ncnc(NC)c1C
InChIInChI=1S/C12H22N4/c1-5-7-10(6-2)16-12-9(3)11(13-4)14-8-15-12/h8,10H,5-7H2,1-4H3,(H2,13,14,15,16)
InChIKeyMMEQIZKKPYTTBM-UHFFFAOYSA-N
XLogP2.82
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-hexan-3-yl-6-N,5-dimethylpyrimidine-4,6-diamine with MolForge

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Related Compounds

6-N-ethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine
CID 80818385
6-N,5-dimethyl-4-N-octan-2-ylpyrimidine-4,6-diamine
CID 80800865
6-N,5-diethyl-4-N-hexan-3-ylpyrimidine-4,6-diamine
CID 80818386
3-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83179964
4-N-hexan-3-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80817968
6-N,5-dimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80783731
N-hexan-3-yl-7H-purin-6-amine
CID 62045757
4-N-[1-(diethylamino)propan-2-yl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80817047
6-N,5-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine
CID 80843830
N-hexan-3-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 62046967
6-N,5-dimethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
CID 80845214
6-N-ethyl-4-N-hexan-3-yl-5-nitropyrimidine-4,6-diamine
CID 80817413

Frequently Asked Questions

What is the IUPAC name of 4-N-hexan-3-yl-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-hexan-3-yl-6-N,5-dimethylpyrimidine-4,6-diamine (CID 80821693) is 4-N-hexan-3-yl-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-hexan-3-yl-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-hexan-3-yl-6-N,5-dimethylpyrimidine-4,6-diamine is CCCC(CC)Nc1ncnc(NC)c1C.
What is the InChIKey of 4-N-hexan-3-yl-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is MMEQIZKKPYTTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-5-7-10(6-2)16-12-9(3)11(13-4)14-8-15-12/h8,10H,5-7H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 4-N-hexan-3-yl-6-N,5-dimethylpyrimidine-4,6-diamine?
4-N-hexan-3-yl-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-hexan-3-yl-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80821693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).