6-N-ethyl-2-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine

C15H28N4 — CID 106028897

IUPAC6-N-ethyl-2-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine
SMILESCCCCC(CCC)Nc1cc(NCC)nc(C)n1
InChIInChI=1S/C15H28N4/c1-5-8-10-13(9-6-2)19-15-11-14(16-7-3)17-12(4)18-15/h11,13H,5-10H2,1-4H3,(H2,16,17,18,19)
InChIKeyFQCDNBJGXBSMHZ-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.99
Rot. Bonds9

About 6-N-ethyl-2-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine

6-N-ethyl-2-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine (PubChem CID 106028897) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 6-N-ethyl-2-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine
PubChem CID106028897
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name6-N-ethyl-2-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine
SMILESCCCCC(CCC)Nc1cc(NCC)nc(C)n1
InChIInChI=1S/C15H28N4/c1-5-8-10-13(9-6-2)19-15-11-14(16-7-3)17-12(4)18-15/h11,13H,5-10H2,1-4H3,(H2,16,17,18,19)
InChIKeyFQCDNBJGXBSMHZ-UHFFFAOYSA-N
XLogP3.99
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-2-methyl-N-octan-4-ylpyrimidin-4-amine
CID 106026606
6-N-ethyl-4-N-hexan-3-ylpyrimidine-2,4,6-triamine
CID 80818389
2-ethyl-6-N-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine
CID 106028873
2-methyl-4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 137000531
4-N-octan-4-yl-2-propylpyrimidine-4,6-diamine
CID 106028699
6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-2,4,6-triamine
CID 80837603
2-ethyl-4-N-octan-4-ylpyrimidine-4,6-diamine
CID 106028697
3,5-dichloro-2-N-ethyl-6-N-octan-4-ylpyridine-2,6-diamine
CID 106028744
6-N-ethyl-2-methyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine
CID 107818952
N,6-diethyl-2-methylpyrimidin-4-amine
CID 62191281
2-cyclopropyl-6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine
CID 80959752
4-(octan-4-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136731501

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-2-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine (CID 106028897) is 6-N-ethyl-2-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-2-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine is CCCCC(CCC)Nc1cc(NCC)nc(C)n1.
What is the InChIKey of 6-N-ethyl-2-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine?
The InChIKey is FQCDNBJGXBSMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-8-10-13(9-6-2)19-15-11-14(16-7-3)17-12(4)18-15/h11,13H,5-10H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 6-N-ethyl-2-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine?
6-N-ethyl-2-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.99, 9 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-octan-4-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 106028897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).