4-N-(3,3-dimethylcyclopentyl)-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine

C16H28N4O — CID 114542162

IUPAC4-N-(3,3-dimethylcyclopentyl)-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCC(C)(C)C2)nc(COCC)n1
InChIInChI=1S/C16H28N4O/c1-5-17-13-9-14(20-15(19-13)11-21-6-2)18-12-7-8-16(3,4)10-12/h9,12H,5-8,10-11H2,1-4H3,(H2,17,18,19,20)
InChIKeyIOEQZEPVQTXDCS-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.44
Rot. Bonds7

About 4-N-(3,3-dimethylcyclopentyl)-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine

4-N-(3,3-dimethylcyclopentyl)-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine (PubChem CID 114542162) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-N-(3,3-dimethylcyclopentyl)-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylcyclopentyl)-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine
PubChem CID114542162
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-N-(3,3-dimethylcyclopentyl)-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCC(C)(C)C2)nc(COCC)n1
InChIInChI=1S/C16H28N4O/c1-5-17-13-9-14(20-15(19-13)11-21-6-2)18-12-7-8-16(3,4)10-12/h9,12H,5-8,10-11H2,1-4H3,(H2,17,18,19,20)
InChIKeyIOEQZEPVQTXDCS-UHFFFAOYSA-N
XLogP3.44
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3-dimethylcyclopentyl)-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,3-dimethylcyclopentyl)-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine (CID 114542162) is 4-N-(3,3-dimethylcyclopentyl)-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,3-dimethylcyclopentyl)-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,3-dimethylcyclopentyl)-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine is CCNc1cc(NC2CCC(C)(C)C2)nc(COCC)n1.
What is the InChIKey of 4-N-(3,3-dimethylcyclopentyl)-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine?
The InChIKey is IOEQZEPVQTXDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-17-13-9-14(20-15(19-13)11-21-6-2)18-12-7-8-16(3,4)10-12/h9,12H,5-8,10-11H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-N-(3,3-dimethylcyclopentyl)-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine?
4-N-(3,3-dimethylcyclopentyl)-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine has a molecular weight of 292.43 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylcyclopentyl)-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 114542162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).