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

C15H26N4 — CID 80830097

IUPAC5-ethyl-4-N-(2-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC2CCCC2C)c1CC
InChIInChI=1S/C15H26N4/c1-4-9-16-14-12(5-2)15(18-10-17-14)19-13-8-6-7-11(13)3/h10-11,13H,4-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyJNBDVXPXDICIAE-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.46
Rot. Bonds6

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

5-ethyl-4-N-(2-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80830097) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-ethyl-4-N-(2-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-(2-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80830097
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name5-ethyl-4-N-(2-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC2CCCC2C)c1CC
InChIInChI=1S/C15H26N4/c1-4-9-16-14-12(5-2)15(18-10-17-14)19-13-8-6-7-11(13)3/h10-11,13H,4-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyJNBDVXPXDICIAE-UHFFFAOYSA-N
XLogP3.46
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-N-(2-methylcycloheptyl)-6-N-propylpyrimidine-4,6-diamine
CID 80830803
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-cyclopentyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80770351
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
6-(2,3-dimethylpiperidin-1-yl)-5-ethyl-N-propylpyrimidin-4-amine
CID 80822466
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80826428
5-ethyl-6-(4-methylazepan-1-yl)-N-propylpyrimidin-4-amine
CID 80833890
4-N-(2,3-dimethylcyclohexyl)-5-propylpyrimidine-4,6-diamine
CID 80778398
5-ethyl-4-N-[(1-methylcyclopentyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80845667

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-(2-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-(2-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine (CID 80830097) is 5-ethyl-4-N-(2-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-(2-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-(2-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NC2CCCC2C)c1CC.
What is the InChIKey of 5-ethyl-4-N-(2-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is JNBDVXPXDICIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-9-16-14-12(5-2)15(18-10-17-14)19-13-8-6-7-11(13)3/h10-11,13H,4-9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 5-ethyl-4-N-(2-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine?
5-ethyl-4-N-(2-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.46, 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-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80830097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).