4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine

C16H28N4 — CID 80933432

IUPAC4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCCCCCC2)nc(CC)n1
InChIInChI=1S/C16H28N4/c1-3-14-19-15(17-4-2)12-16(20-14)18-13-10-8-6-5-7-9-11-13/h12-13H,3-11H2,1-2H3,(H2,17,18,19,20)
InChIKeyLPPOTTCOLRVXDD-UHFFFAOYSA-N
MW276.43 g/mol
LogP4.00
Rot. Bonds5

About 4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine

4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine (PubChem CID 80933432) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine
PubChem CID80933432
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCCCCCC2)nc(CC)n1
InChIInChI=1S/C16H28N4/c1-3-14-19-15(17-4-2)12-16(20-14)18-13-10-8-6-5-7-9-11-13/h12-13H,3-11H2,1-2H3,(H2,17,18,19,20)
InChIKeyLPPOTTCOLRVXDD-UHFFFAOYSA-N
XLogP4.00
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933862
4-N-(1,1-dioxothian-4-yl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934204
6-N,2-diethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 80940140
4-N-(2,3-dihydro-1H-inden-2-yl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 107855395
4-N-cyclobutyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826222
4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934460
4-N-cyclobutyl-2-ethylpyrimidine-4,6-diamine
CID 80934753
4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80766375
6-butoxy-N-cycloheptyl-2-ethylpyrimidin-4-amine
CID 82454357
6-N,2-diethyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80934388
6-cyclohexylsulfanyl-N,2-diethylpyrimidin-4-amine
CID 80937260
N-cycloheptyl-2-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82454224

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine (CID 80933432) is 4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine is CCNc1cc(NC2CCCCCCC2)nc(CC)n1.
What is the InChIKey of 4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine?
The InChIKey is LPPOTTCOLRVXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-3-14-19-15(17-4-2)12-16(20-14)18-13-10-8-6-5-7-9-11-13/h12-13H,3-11H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine?
4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80933432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).