5-(3,7-dimethyloctyl)pyrimidine-2,4,6-triamine

C14H27N5 — CID 23524567

IUPAC5-(3,7-dimethyloctyl)pyrimidine-2,4,6-triamine
SMILESCC(C)CCCC(C)CCc1c(N)nc(N)nc1N
InChIInChI=1S/C14H27N5/c1-9(2)5-4-6-10(3)7-8-11-12(15)18-14(17)19-13(11)16/h9-10H,4-8H2,1-3H3,(H6,15,16,17,18,19)
InChIKeyWTXFKZIAXNZMQV-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.62
Rot. Bonds7

About 5-(3,7-dimethyloctyl)pyrimidine-2,4,6-triamine

5-(3,7-dimethyloctyl)pyrimidine-2,4,6-triamine (PubChem CID 23524567) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-(3,7-dimethyloctyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name5-(3,7-dimethyloctyl)pyrimidine-2,4,6-triamine
PubChem CID23524567
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name5-(3,7-dimethyloctyl)pyrimidine-2,4,6-triamine
SMILESCC(C)CCCC(C)CCc1c(N)nc(N)nc1N
InChIInChI=1S/C14H27N5/c1-9(2)5-4-6-10(3)7-8-11-12(15)18-14(17)19-13(11)16/h9-10H,4-8H2,1-3H3,(H6,15,16,17,18,19)
InChIKeyWTXFKZIAXNZMQV-UHFFFAOYSA-N
XLogP2.62
TPSA103.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-bis(2-hydroxyethyl)-5-[3-methyl-5-(2,4,6-triaminopyrimidin-5-yl)pentyl]-1H-pyrimidin-2-one
CID 118018104
1,4-bis[(3R)-3,7-dimethyloctyl]benzene
CID 94774977
5-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 67156312
2,5,9,13-tetramethyltetradecane
CID 58292409
(3R)-3,7-dimethyloctan-1-amine
CID 92974894
5-(4-aminobutyl)pyrimidine-2,4,6-triamine
CID 100934549
4-(3,7-dimethyloctyl)pyridine
CID 139896876
2,3,5-trimethyl-6-[(3R,7S,11R)-3,7,11,15-tetramethylhexadecyl]terephthalaldehyde
CID 123504445
1-(4-bromophenyl)-2,3,4,5,6-pentakis(3,7-dimethyloctyl)benzene
CID 101102208
2,4-diamino-5-(3-methylbutyl)-1H-pyrimidin-6-one
CID 135493668
(2S)-2,6-dimethylheptan-1-amine
CID 13329794
2,6,10,14,18,22,26-heptamethyloctacosane
CID 6428605

Frequently Asked Questions

What is the IUPAC name of 5-(3,7-dimethyloctyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 5-(3,7-dimethyloctyl)pyrimidine-2,4,6-triamine (CID 23524567) is 5-(3,7-dimethyloctyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 5-(3,7-dimethyloctyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 5-(3,7-dimethyloctyl)pyrimidine-2,4,6-triamine is CC(C)CCCC(C)CCc1c(N)nc(N)nc1N.
What is the InChIKey of 5-(3,7-dimethyloctyl)pyrimidine-2,4,6-triamine?
The InChIKey is WTXFKZIAXNZMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-9(2)5-4-6-10(3)7-8-11-12(15)18-14(17)19-13(11)16/h9-10H,4-8H2,1-3H3,(H6,15,16,17,18,19).
What are the key properties of 5-(3,7-dimethyloctyl)pyrimidine-2,4,6-triamine?
5-(3,7-dimethyloctyl)pyrimidine-2,4,6-triamine has a molecular weight of 265.40 g/mol, XLogP of 2.62, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,7-dimethyloctyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 23524567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).