4-N-cyclooctyl-2-propan-2-ylpyrimidine-4,6-diamine

C15H26N4 — CID 80956154

IUPAC4-N-cyclooctyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1nc(N)cc(NC2CCCCCCC2)n1
InChIInChI=1S/C15H26N4/c1-11(2)15-18-13(16)10-14(19-15)17-12-8-6-4-3-5-7-9-12/h10-12H,3-9H2,1-2H3,(H3,16,17,18,19)
InChIKeyXDCXGDYIJYEDGX-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.71
Rot. Bonds3

About 4-N-cyclooctyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-cyclooctyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80956154) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-cyclooctyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclooctyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80956154
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-N-cyclooctyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1nc(N)cc(NC2CCCCCCC2)n1
InChIInChI=1S/C15H26N4/c1-11(2)15-18-13(16)10-14(19-15)17-12-8-6-4-3-5-7-9-12/h10-12H,3-9H2,1-2H3,(H3,16,17,18,19)
InChIKeyXDCXGDYIJYEDGX-UHFFFAOYSA-N
XLogP3.71
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959178
N-cyclooctyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80968823
4-N-(4-ethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961252
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]cyclobutan-1-ol
CID 80958339
2-propan-2-yl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
CID 103065324
4-N-cyclooctyl-2-methylpyrimidine-4,6-diamine
CID 80786651
4-N-(2,2-dimethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960088
4-N-(2,2-dimethyloxan-4-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 83040002
N-cyclopropyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80968411
N-cyclopentyl-6-(2-methylpropoxy)-2-propan-2-ylpyrimidin-4-amine
CID 82454241
6-cyclohexyl-2-propan-2-ylpyrimidin-4-amine
CID 130056199
6-butoxy-N-cyclopentyl-2-propan-2-ylpyrimidin-4-amine
CID 82454374

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclooctyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclooctyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80956154) is 4-N-cyclooctyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclooctyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclooctyl-2-propan-2-ylpyrimidine-4,6-diamine is CC(C)c1nc(N)cc(NC2CCCCCCC2)n1.
What is the InChIKey of 4-N-cyclooctyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is XDCXGDYIJYEDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-11(2)15-18-13(16)10-14(19-15)17-12-8-6-4-3-5-7-9-12/h10-12H,3-9H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 4-N-cyclooctyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-cyclooctyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclooctyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80956154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).