4-N-(2-cyclopentyloxyethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine

C15H26N4O — CID 80846025

IUPAC4-N-(2-cyclopentyloxyethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCOC2CCCC2)nc(C)n1
InChIInChI=1S/C15H26N4O/c1-3-8-16-14-11-15(19-12(2)18-14)17-9-10-20-13-6-4-5-7-13/h11,13H,3-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyMCQPXGHCFYLBSK-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.98
Rot. Bonds8

About 4-N-(2-cyclopentyloxyethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine

4-N-(2-cyclopentyloxyethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80846025) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-N-(2-cyclopentyloxyethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-cyclopentyloxyethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80846025
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-N-(2-cyclopentyloxyethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCOC2CCCC2)nc(C)n1
InChIInChI=1S/C15H26N4O/c1-3-8-16-14-11-15(19-12(2)18-14)17-9-10-20-13-6-4-5-7-13/h11,13H,3-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyMCQPXGHCFYLBSK-UHFFFAOYSA-N
XLogP2.98
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-cyclobutyloxy-2-methyl-N-propylpyrimidin-4-amine
CID 80873247
2-N-(2-cyclohexyloxyethyl)-6-N-propylpyrazine-2,6-diamine
CID 80846576
2-methyl-4-N-(oxan-4-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80789462
6-N-butyl-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine
CID 112867907
4-N-(4,4-dimethylcyclohexyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80837025
6-N-(2-cyclopentyloxyethyl)-2-N-ethylpyridine-2,6-diamine
CID 80846644
4-N-cyclopropyl-6-N-(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 112867448
6-(3-methoxypiperidin-1-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 102971485
4-N-cyclopentyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112868668
6-(2-cyclopropylethoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 114158202
methyl 4-(2-cyclohexyloxyethylamino)-6-methylpyrimidine-2-carboxylate
CID 66285067
4-N-cyclohexyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112869040

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyclopentyloxyethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-cyclopentyloxyethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine (CID 80846025) is 4-N-(2-cyclopentyloxyethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-cyclopentyloxyethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-cyclopentyloxyethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NCCOC2CCCC2)nc(C)n1.
What is the InChIKey of 4-N-(2-cyclopentyloxyethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is MCQPXGHCFYLBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-8-16-14-11-15(19-12(2)18-14)17-9-10-20-13-6-4-5-7-13/h11,13H,3-10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2-cyclopentyloxyethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(2-cyclopentyloxyethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyclopentyloxyethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80846025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).