4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine

C17H28N4 — CID 80956121

IUPAC4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1cc(NC(C)C2CC3CCC2C3)nc(C(C)C)n1
InChIInChI=1S/C17H28N4/c1-10(2)17-20-15(18-4)9-16(21-17)19-11(3)14-8-12-5-6-13(14)7-12/h9-14H,5-8H2,1-4H3,(H2,18,19,20,21)
InChIKeyDOGIQYLXLSPWTE-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.88
Rot. Bonds5

About 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80956121) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80956121
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1cc(NC(C)C2CC3CCC2C3)nc(C(C)C)n1
InChIInChI=1S/C17H28N4/c1-10(2)17-20-15(18-4)9-16(21-17)19-11(3)14-8-12-5-6-13(14)7-12/h9-14H,5-8H2,1-4H3,(H2,18,19,20,21)
InChIKeyDOGIQYLXLSPWTE-UHFFFAOYSA-N
XLogP3.88
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80982157
methyl 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-6-methylpyrimidine-2-carboxylate
CID 66285213
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-cyclopropylimidazol-2-amine
CID 106557764
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylpyridin-2-amine
CID 114869144
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloropyridin-2-amine
CID 43098628
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 62870256
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoropyrimidin-2-amine
CID 112703061
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,4-dimethylimidazol-2-amine
CID 106557760
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-propoxypyrimidin-4-amine
CID 66325714
2-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-ethoxypyridine-2,5-diamine
CID 43261074

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80956121) is 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine is CNc1cc(NC(C)C2CC3CCC2C3)nc(C(C)C)n1.
What is the InChIKey of 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is DOGIQYLXLSPWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-10(2)17-20-15(18-4)9-16(21-17)19-11(3)14-8-12-5-6-13(14)7-12/h9-14H,5-8H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 288.44 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80956121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).