4-N-(3,3-dimethylcyclopentyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine

C16H28N4 — CID 114542211

IUPAC4-N-(3,3-dimethylcyclopentyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC2CCC(C)(C)C2)nc(CC)n1
InChIInChI=1S/C16H28N4/c1-5-9-17-14-10-15(20-13(6-2)19-14)18-12-7-8-16(3,4)11-12/h10,12H,5-9,11H2,1-4H3,(H2,17,18,19,20)
InChIKeyJENMVQHFYKUIPA-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.85
Rot. Bonds6

About 4-N-(3,3-dimethylcyclopentyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine

4-N-(3,3-dimethylcyclopentyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 114542211) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-N-(3,3-dimethylcyclopentyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylcyclopentyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID114542211
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-N-(3,3-dimethylcyclopentyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC2CCC(C)(C)C2)nc(CC)n1
InChIInChI=1S/C16H28N4/c1-5-9-17-14-10-15(20-13(6-2)19-14)18-12-7-8-16(3,4)11-12/h10,12H,5-9,11H2,1-4H3,(H2,17,18,19,20)
InChIKeyJENMVQHFYKUIPA-UHFFFAOYSA-N
XLogP3.85
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80940937
4-N-(3,3-dimethylcyclopentyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 114542094
4-N-(4,4-dimethylcyclohexyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80837025
4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933862
4-N-(3,3-dimethylcyclopentyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 114542196
4-N-(3,3-dimethylcyclopentyl)-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 114542162
4-N-(2,2-dimethylcyclohexyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80938291
4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933194
N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80946562
3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
CID 80938259
2-ethyl-4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80940788
4-N-(3,3-dimethylcyclopentyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 114542352

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3-dimethylcyclopentyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,3-dimethylcyclopentyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine (CID 114542211) is 4-N-(3,3-dimethylcyclopentyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,3-dimethylcyclopentyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,3-dimethylcyclopentyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC2CCC(C)(C)C2)nc(CC)n1.
What is the InChIKey of 4-N-(3,3-dimethylcyclopentyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is JENMVQHFYKUIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-9-17-14-10-15(20-13(6-2)19-14)18-12-7-8-16(3,4)11-12/h10,12H,5-9,11H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-N-(3,3-dimethylcyclopentyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(3,3-dimethylcyclopentyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylcyclopentyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 114542211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).