N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine

C15H23N3O — CID 106177621

IUPACN-[2-(cyclopenten-1-yl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NCCC2=CCCC2)n1
InChIInChI=1S/C15H23N3O/c1-3-10-19-14-11-12(2)17-15(18-14)16-9-8-13-6-4-5-7-13/h6,11H,3-5,7-10H2,1-2H3,(H,16,17,18)
InChIKeyXERQJMWRYNRDLV-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.49
Rot. Bonds7

About N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine

N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine (PubChem CID 106177621) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
PubChem CID106177621
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NCCC2=CCCC2)n1
InChIInChI=1S/C15H23N3O/c1-3-10-19-14-11-12(2)17-15(18-14)16-9-8-13-6-4-5-7-13/h6,11H,3-5,7-10H2,1-2H3,(H,16,17,18)
InChIKeyXERQJMWRYNRDLV-UHFFFAOYSA-N
XLogP3.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine
CID 107489048
N-hexyl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637799
N-[2-(4-aminophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 115973398
4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine
CID 106418468
N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112636619
N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyrimidin-2-amine
CID 103844256
4-methyl-6-propoxy-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
CID 115975022
4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]butanoic acid
CID 112634344
4-methyl-N-prop-2-enyl-6-propoxypyrimidin-2-amine
CID 112637443
4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxypyrimidin-2-amine
CID 115974679
4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine
CID 106105448
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112911101

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine (CID 106177621) is N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine is CCCOc1cc(C)nc(NCCC2=CCCC2)n1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine?
The InChIKey is XERQJMWRYNRDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-10-19-14-11-12(2)17-15(18-14)16-9-8-13-6-4-5-7-13/h6,11H,3-5,7-10H2,1-2H3,(H,16,17,18).
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine?
N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine has a molecular weight of 261.37 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine is sourced from PubChem (CID 106177621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).