2-N-cycloheptylpyrimidine-2,5-diamine

C11H18N4 — CID 61147383

IUPAC2-N-cycloheptylpyrimidine-2,5-diamine
SMILESNc1cnc(NC2CCCCCC2)nc1
InChIInChI=1S/C11H18N4/c12-9-7-13-11(14-8-9)15-10-5-3-1-2-4-6-10/h7-8,10H,1-6,12H2,(H,13,14,15)
InChIKeyCGBUZNRYBFSGJH-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.19
Rot. Bonds2

About 2-N-cycloheptylpyrimidine-2,5-diamine

2-N-cycloheptylpyrimidine-2,5-diamine (PubChem CID 61147383) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-N-cycloheptylpyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-cycloheptylpyrimidine-2,5-diamine
PubChem CID61147383
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name2-N-cycloheptylpyrimidine-2,5-diamine
SMILESNc1cnc(NC2CCCCCC2)nc1
InChIInChI=1S/C11H18N4/c12-9-7-13-11(14-8-9)15-10-5-3-1-2-4-6-10/h7-8,10H,1-6,12H2,(H,13,14,15)
InChIKeyCGBUZNRYBFSGJH-UHFFFAOYSA-N
XLogP2.19
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-cyclopropylpyrimidine-2,5-diamine
CID 59381911
2-N-(4-propylcyclohexyl)pyrimidine-2,5-diamine
CID 54962936
2-N-(3,4-dimethylcyclohexyl)pyrimidine-2,5-diamine
CID 64740867
2-N-(2-methylcyclopentyl)pyrimidine-2,5-diamine
CID 63278142
2-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,5-diamine
CID 103965308
4-amino-2-(cyclohexylamino)pyrimidine-5-carbonitrile
CID 4163635
2-N-(2,2-dimethylcyclopentyl)pyrimidine-2,5-diamine
CID 79861067
5-cyclohexyl-N-piperidin-3-ylpyrimidin-2-amine
CID 116974757
N-cyclobutylpyrimidin-2-amine
CID 45080152
6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951
2-N-cyclohexylpyrazine-2,5-diamine
CID 80653087
5-bromo-N-cyclohexyl-4-methylpyrimidin-2-amine
CID 115050366

Frequently Asked Questions

What is the IUPAC name of 2-N-cycloheptylpyrimidine-2,5-diamine?
The IUPAC name of 2-N-cycloheptylpyrimidine-2,5-diamine (CID 61147383) is 2-N-cycloheptylpyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-cycloheptylpyrimidine-2,5-diamine?
The canonical SMILES for 2-N-cycloheptylpyrimidine-2,5-diamine is Nc1cnc(NC2CCCCCC2)nc1.
What is the InChIKey of 2-N-cycloheptylpyrimidine-2,5-diamine?
The InChIKey is CGBUZNRYBFSGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c12-9-7-13-11(14-8-9)15-10-5-3-1-2-4-6-10/h7-8,10H,1-6,12H2,(H,13,14,15).
What are the key properties of 2-N-cycloheptylpyrimidine-2,5-diamine?
2-N-cycloheptylpyrimidine-2,5-diamine has a molecular weight of 206.29 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cycloheptylpyrimidine-2,5-diamine is sourced from PubChem (CID 61147383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).