4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine

C15H22N4 — CID 80959753

IUPAC4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NC2CC3CCC2C3)nc(C2CC2)n1
InChIInChI=1S/C15H22N4/c1-16-13-8-14(19-15(18-13)10-4-5-10)17-12-7-9-2-3-11(12)6-9/h8-12H,2-7H2,1H3,(H2,16,17,18,19)
InChIKeyHYRNBKSNHUEDTN-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.00
Rot. Bonds4

About 4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine

4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80959753) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
PubChem CID80959753
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NC2CC3CCC2C3)nc(C2CC2)n1
InChIInChI=1S/C15H22N4/c1-16-13-8-14(19-15(18-13)10-4-5-10)17-12-7-9-2-3-11(12)6-9/h8-12H,2-7H2,1H3,(H2,16,17,18,19)
InChIKeyHYRNBKSNHUEDTN-UHFFFAOYSA-N
XLogP3.00
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine with MolForge

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Related Compounds

2-cyclopropyl-6-N-methyl-4-N-(2-methylcycloheptyl)pyrimidine-4,6-diamine
CID 80959584
4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80984656
N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine
CID 80951871
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-3-amine
CID 124526704
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-6,7-dimethoxyquinoxalin-2-amine
CID 57045267
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-6,7-dimethoxyquinoxalin-2-amine
CID 67019181
2-cyclopropyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 80956706
2-N-(2-bicyclo[2.2.1]heptanyl)-6-N-ethylpyrazine-2,6-diamine
CID 78997552
N-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309908
2-cyclopropyl-6-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine
CID 80961016
N-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine
CID 115355152
N-(2-bicyclo[2.2.1]heptanyl)-6-ethoxypyrimidin-4-amine
CID 66330992

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine (CID 80959753) is 4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine is CNc1cc(NC2CC3CCC2C3)nc(C2CC2)n1.
What is the InChIKey of 4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is HYRNBKSNHUEDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-16-13-8-14(19-15(18-13)10-4-5-10)17-12-7-9-2-3-11(12)6-9/h8-12H,2-7H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine?
4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 258.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bicyclo[2.2.1]heptanyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80959753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).