N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-propoxypyrimidin-4-amine

C16H25N3O — CID 66325714

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NC(C)C2CC3CCC2C3)ncn1
InChIInChI=1S/C16H25N3O/c1-3-6-20-16-9-15(17-10-18-16)19-11(2)14-8-12-4-5-13(14)7-12/h9-14H,3-8H2,1-2H3,(H,17,18,19)
InChIKeyIDEKTBSEYQRRQF-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.50
Rot. Bonds6

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-propoxypyrimidin-4-amine

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-propoxypyrimidin-4-amine (PubChem CID 66325714) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-propoxypyrimidin-4-amine
PubChem CID66325714
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NC(C)C2CC3CCC2C3)ncn1
InChIInChI=1S/C16H25N3O/c1-3-6-20-16-9-15(17-10-18-16)19-11(2)14-8-12-4-5-13(14)7-12/h9-14H,3-8H2,1-2H3,(H,17,18,19)
InChIKeyIDEKTBSEYQRRQF-UHFFFAOYSA-N
XLogP3.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-ethoxypyridine-2,5-diamine
CID 43261074
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylpyridin-2-amine
CID 114869144
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80772101
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80772094
1-N,1-N-dimethyl-3-N-(6-propoxypyrimidin-4-yl)butane-1,3-diamine
CID 66328407
N-(3,5-dimethylcyclohexyl)-6-propoxypyrimidin-4-amine
CID 66330206
N-[1-(4-methylphenyl)ethyl]-6-propoxypyrimidin-4-amine
CID 66328207
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloropyridin-2-amine
CID 43098628
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956121
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoropyrimidin-2-amine
CID 112703061
N-(4-chlorocyclohexyl)-6-propoxypyrimidin-4-amine
CID 66331387
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-7-methoxyquinazolin-4-amine
CID 21003164

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-propoxypyrimidin-4-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-propoxypyrimidin-4-amine (CID 66325714) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-propoxypyrimidin-4-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-propoxypyrimidin-4-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-propoxypyrimidin-4-amine is CCCOc1cc(NC(C)C2CC3CCC2C3)ncn1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-propoxypyrimidin-4-amine?
The InChIKey is IDEKTBSEYQRRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-6-20-16-9-15(17-10-18-16)19-11(2)14-8-12-4-5-13(14)7-12/h9-14H,3-8H2,1-2H3,(H,17,18,19).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-propoxypyrimidin-4-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-propoxypyrimidin-4-amine has a molecular weight of 275.40 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 66325714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).