5-ethyl-4-N-(2-methylcycloheptyl)-6-N-propylpyrimidine-4,6-diamine

C17H30N4 — CID 80830803

IUPAC5-ethyl-4-N-(2-methylcycloheptyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC2CCCCCC2C)c1CC
InChIInChI=1S/C17H30N4/c1-4-11-18-16-14(5-2)17(20-12-19-16)21-15-10-8-6-7-9-13(15)3/h12-13,15H,4-11H2,1-3H3,(H2,18,19,20,21)
InChIKeyQZMLABBWABNJTF-UHFFFAOYSA-N
MW290.46 g/mol
LogP4.24
Rot. Bonds6

About 5-ethyl-4-N-(2-methylcycloheptyl)-6-N-propylpyrimidine-4,6-diamine

5-ethyl-4-N-(2-methylcycloheptyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80830803) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 5-ethyl-4-N-(2-methylcycloheptyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-(2-methylcycloheptyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80830803
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name5-ethyl-4-N-(2-methylcycloheptyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC2CCCCCC2C)c1CC
InChIInChI=1S/C17H30N4/c1-4-11-18-16-14(5-2)17(20-12-19-16)21-15-10-8-6-7-9-13(15)3/h12-13,15H,4-11H2,1-3H3,(H2,18,19,20,21)
InChIKeyQZMLABBWABNJTF-UHFFFAOYSA-N
XLogP4.24
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-N-(2-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80830097
6-N,5-diethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80777757
2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80800343
6-hydrazinyl-N-(2-methylcyclohexyl)-5-propylpyrimidin-4-amine
CID 80944639
4-N-cycloheptyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80771825
3,5-dichloro-6-N-(2-methylcyclohexyl)-2-N-propylpyridine-2,6-diamine
CID 102755687
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80826428
5-methyl-4-N-(2-methylcycloheptyl)-2-N-propylpyrimidine-2,4-diamine
CID 80847547
4-N-cyclopentyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80770351
6-cycloheptyloxy-5-ethyl-N-propylpyrimidin-4-amine
CID 80871776
6-(2,3-dimethylpiperidin-1-yl)-5-ethyl-N-propylpyrimidin-4-amine
CID 80822466
4-N-cyclopentyl-6-N,5-diethylpyrimidine-4,6-diamine
CID 80770074

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-(2-methylcycloheptyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-(2-methylcycloheptyl)-6-N-propylpyrimidine-4,6-diamine (CID 80830803) is 5-ethyl-4-N-(2-methylcycloheptyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-(2-methylcycloheptyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-(2-methylcycloheptyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NC2CCCCCC2C)c1CC.
What is the InChIKey of 5-ethyl-4-N-(2-methylcycloheptyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is QZMLABBWABNJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-4-11-18-16-14(5-2)17(20-12-19-16)21-15-10-8-6-7-9-13(15)3/h12-13,15H,4-11H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 5-ethyl-4-N-(2-methylcycloheptyl)-6-N-propylpyrimidine-4,6-diamine?
5-ethyl-4-N-(2-methylcycloheptyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 290.46 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-(2-methylcycloheptyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80830803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).