6-N,5-dimethyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine

C12H22N4 — CID 80831901

IUPAC6-N,5-dimethyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
SMILESCNc1ncnc(NCCCC(C)C)c1C
InChIInChI=1S/C12H22N4/c1-9(2)6-5-7-14-12-10(3)11(13-4)15-8-16-12/h8-9H,5-7H2,1-4H3,(H2,13,14,15,16)
InChIKeyLRYHQVIDEBDTNC-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.67
Rot. Bonds6

About 6-N,5-dimethyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine

6-N,5-dimethyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine (PubChem CID 80831901) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 6-N,5-dimethyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-dimethyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
PubChem CID80831901
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name6-N,5-dimethyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
SMILESCNc1ncnc(NCCCC(C)C)c1C
InChIInChI=1S/C12H22N4/c1-9(2)6-5-7-14-12-10(3)11(13-4)15-8-16-12/h8-9H,5-7H2,1-4H3,(H2,13,14,15,16)
InChIKeyLRYHQVIDEBDTNC-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
CID 80831472
6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine
CID 80831818
4-N-[3-(diethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80777327
6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine
CID 115326240
6-N,5-dimethyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 80790674
5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 114148658
6-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80786302
6-N,2,5-trimethyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine
CID 115327702
4-N-[2-[ethyl(methyl)amino]ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80833362
6-N,2,5-trimethyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine
CID 107818951
5-methyl-4-N-(5-methylhexan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80838810
6-N,5-dimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80783731

Frequently Asked Questions

What is the IUPAC name of 6-N,5-dimethyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-dimethyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine (CID 80831901) is 6-N,5-dimethyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-dimethyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-dimethyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine is CNc1ncnc(NCCCC(C)C)c1C.
What is the InChIKey of 6-N,5-dimethyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine?
The InChIKey is LRYHQVIDEBDTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9(2)6-5-7-14-12-10(3)11(13-4)15-8-16-12/h8-9H,5-7H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 6-N,5-dimethyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine?
6-N,5-dimethyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-dimethyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80831901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).