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

C14H26N4 — CID 106028697

IUPAC2-ethyl-4-N-octan-4-ylpyrimidine-4,6-diamine
SMILESCCCCC(CCC)Nc1cc(N)nc(CC)n1
InChIInChI=1S/C14H26N4/c1-4-7-9-11(8-5-2)16-14-10-12(15)17-13(6-3)18-14/h10-11H,4-9H2,1-3H3,(H3,15,16,17,18)
InChIKeyHPSZZWVQYYUOEJ-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.39
Rot. Bonds8

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

2-ethyl-4-N-octan-4-ylpyrimidine-4,6-diamine (PubChem CID 106028697) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-ethyl-4-N-octan-4-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-octan-4-ylpyrimidine-4,6-diamine
PubChem CID106028697
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-ethyl-4-N-octan-4-ylpyrimidine-4,6-diamine
SMILESCCCCC(CCC)Nc1cc(N)nc(CC)n1
InChIInChI=1S/C14H26N4/c1-4-7-9-11(8-5-2)16-14-10-12(15)17-13(6-3)18-14/h10-11H,4-9H2,1-3H3,(H3,15,16,17,18)
InChIKeyHPSZZWVQYYUOEJ-UHFFFAOYSA-N
XLogP3.39
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-octan-4-yl-2-propylpyrimidine-4,6-diamine
CID 106028699
2-ethyl-6-N-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine
CID 106028873
2-ethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine
CID 80933934
4-N-hexan-2-yl-2-propylpyrimidine-4,6-diamine
CID 80954835
2-(methoxymethyl)-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine
CID 113401520
2-ethyl-4-N-octylpyrimidine-4,6-diamine
CID 113336788
2-N-octan-4-ylpyridine-2,4-diamine
CID 106022683
6-N-ethyl-2-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine
CID 106028897
methyl 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]propanoate
CID 80935382
2-methyl-4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 137000531
2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80941879
6-ethoxy-2-methyl-N-octan-4-ylpyrimidin-4-amine
CID 106026606

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-octan-4-ylpyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-octan-4-ylpyrimidine-4,6-diamine (CID 106028697) is 2-ethyl-4-N-octan-4-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-octan-4-ylpyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-octan-4-ylpyrimidine-4,6-diamine is CCCCC(CCC)Nc1cc(N)nc(CC)n1.
What is the InChIKey of 2-ethyl-4-N-octan-4-ylpyrimidine-4,6-diamine?
The InChIKey is HPSZZWVQYYUOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-7-9-11(8-5-2)16-14-10-12(15)17-13(6-3)18-14/h10-11H,4-9H2,1-3H3,(H3,15,16,17,18).
What are the key properties of 2-ethyl-4-N-octan-4-ylpyrimidine-4,6-diamine?
2-ethyl-4-N-octan-4-ylpyrimidine-4,6-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-octan-4-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 106028697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).