6-N-cyclopentyl-4-N-ethyl-4-N-(2-methoxyethyl)-2,5-dimethylpyrimidine-4,6-diamine

C16H28N4O — CID 145048151

IUPAC6-N-cyclopentyl-4-N-ethyl-4-N-(2-methoxyethyl)-2,5-dimethylpyrimidine-4,6-diamine
SMILESCCN(CCOC)c1nc(C)nc(NC2CCCC2)c1C
InChIInChI=1S/C16H28N4O/c1-5-20(10-11-21-4)16-12(2)15(17-13(3)18-16)19-14-8-6-7-9-14/h14H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyMOHBIZFNXJCBNP-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.92
Rot. Bonds7

About 6-N-cyclopentyl-4-N-ethyl-4-N-(2-methoxyethyl)-2,5-dimethylpyrimidine-4,6-diamine

6-N-cyclopentyl-4-N-ethyl-4-N-(2-methoxyethyl)-2,5-dimethylpyrimidine-4,6-diamine (PubChem CID 145048151) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 6-N-cyclopentyl-4-N-ethyl-4-N-(2-methoxyethyl)-2,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-cyclopentyl-4-N-ethyl-4-N-(2-methoxyethyl)-2,5-dimethylpyrimidine-4,6-diamine
PubChem CID145048151
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name6-N-cyclopentyl-4-N-ethyl-4-N-(2-methoxyethyl)-2,5-dimethylpyrimidine-4,6-diamine
SMILESCCN(CCOC)c1nc(C)nc(NC2CCCC2)c1C
InChIInChI=1S/C16H28N4O/c1-5-20(10-11-21-4)16-12(2)15(17-13(3)18-16)19-14-8-6-7-9-14/h14H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyMOHBIZFNXJCBNP-UHFFFAOYSA-N
XLogP2.92
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopentyl-4-N-ethyl-4-N-(2-methoxyethyl)-2,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-cyclopentyl-4-N-ethyl-4-N-(2-methoxyethyl)-2,5-dimethylpyrimidine-4,6-diamine (CID 145048151) is 6-N-cyclopentyl-4-N-ethyl-4-N-(2-methoxyethyl)-2,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-cyclopentyl-4-N-ethyl-4-N-(2-methoxyethyl)-2,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-cyclopentyl-4-N-ethyl-4-N-(2-methoxyethyl)-2,5-dimethylpyrimidine-4,6-diamine is CCN(CCOC)c1nc(C)nc(NC2CCCC2)c1C.
What is the InChIKey of 6-N-cyclopentyl-4-N-ethyl-4-N-(2-methoxyethyl)-2,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is MOHBIZFNXJCBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-20(10-11-21-4)16-12(2)15(17-13(3)18-16)19-14-8-6-7-9-14/h14H,5-11H2,1-4H3,(H,17,18,19).
What are the key properties of 6-N-cyclopentyl-4-N-ethyl-4-N-(2-methoxyethyl)-2,5-dimethylpyrimidine-4,6-diamine?
6-N-cyclopentyl-4-N-ethyl-4-N-(2-methoxyethyl)-2,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 292.43 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopentyl-4-N-ethyl-4-N-(2-methoxyethyl)-2,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 145048151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).