6-N-ethyl-2-methyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine

C16H30N4 — CID 107818952

IUPAC6-N-ethyl-2-methyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCCCCCCC(C)C)nc(C)n1
InChIInChI=1S/C16H30N4/c1-5-17-15-12-16(20-14(4)19-15)18-11-9-7-6-8-10-13(2)3/h12-13H,5-11H2,1-4H3,(H2,17,18,19,20)
InChIKeyGTNIVIVXLZTDFF-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.24
Rot. Bonds10

About 6-N-ethyl-2-methyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine

6-N-ethyl-2-methyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine (PubChem CID 107818952) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 6-N-ethyl-2-methyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-methyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine
PubChem CID107818952
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name6-N-ethyl-2-methyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCCCCCCC(C)C)nc(C)n1
InChIInChI=1S/C16H30N4/c1-5-17-15-12-16(20-14(4)19-15)18-11-9-7-6-8-10-13(2)3/h12-13H,5-11H2,1-4H3,(H2,17,18,19,20)
InChIKeyGTNIVIVXLZTDFF-UHFFFAOYSA-N
XLogP4.24
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.24
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

2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80831566
2-methyl-N-(7-methyloctyl)pyrimidin-4-amine
CID 107816212
5-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]pentanamide
CID 114162867
6-hydrazinyl-2-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 80932318
4-N-cyclopropyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112867516
2-methyl-4-(5-methylhexylamino)-1H-pyrimidin-6-one
CID 136957022
6-methyl-N-(7-methyloctyl)pyridin-2-amine
CID 107816090
2-ethyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80935431
6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine
CID 107818930
4-N-cyclopentyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112868668
N-ethyl-2-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62191118
6-hydrazinyl-2-methyl-N-pentylpyrimidin-4-amine
CID 80932312

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-methyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-2-methyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine (CID 107818952) is 6-N-ethyl-2-methyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-methyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-2-methyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine is CCNc1cc(NCCCCCCC(C)C)nc(C)n1.
What is the InChIKey of 6-N-ethyl-2-methyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine?
The InChIKey is GTNIVIVXLZTDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-17-15-12-16(20-14(4)19-15)18-11-9-7-6-8-10-13(2)3/h12-13H,5-11H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 6-N-ethyl-2-methyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine?
6-N-ethyl-2-methyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine has a molecular weight of 278.44 g/mol, XLogP of 4.24, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-methyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 107818952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).