N-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine

C15H25N3O — CID 106012839

IUPACN-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(NCCCC2CCCC2)n1
InChIInChI=1S/C15H25N3O/c1-2-12-19-14-9-11-17-15(18-14)16-10-5-8-13-6-3-4-7-13/h9,11,13H,2-8,10,12H2,1H3,(H,16,17,18)
InChIKeyRYHDMVIVROQOTM-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.65
Rot. Bonds8

About N-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine

N-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine (PubChem CID 106012839) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine
PubChem CID106012839
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(NCCCC2CCCC2)n1
InChIInChI=1S/C15H25N3O/c1-2-12-19-14-9-11-17-15(18-14)16-10-5-8-13-6-3-4-7-13/h9,11,13H,2-8,10,12H2,1H3,(H,16,17,18)
InChIKeyRYHDMVIVROQOTM-UHFFFAOYSA-N
XLogP3.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine
CID 112636877
4-N-(3-cyclopentylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 106014980
4-propoxy-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794433
N-[2-(4-aminocyclohexyl)oxyethyl]-4-propoxypyrimidin-2-amine
CID 115975400
2-cyclopropyl-2-N-(4-propoxypyrimidin-2-yl)propane-1,2-diamine
CID 112638834
N-(7-methyloctyl)-4-propoxypyrimidin-2-amine
CID 107816065
4-propoxy-N-(thian-2-ylmethyl)pyrimidin-2-amine
CID 112638269
4-cycloheptyloxy-N-propylpyrimidin-2-amine
CID 80871966
N-(2,2-dimethylheptyl)-4-propoxypyrimidin-2-amine
CID 115975266
2-(3-cyclopentylpropylamino)pyrimidine-4-carbothioamide
CID 106010222
4-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-2-amine
CID 112637806
N-[3-(4-aminocyclohexyl)oxypropyl]-4-ethoxypyrimidin-2-amine
CID 115975401

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine?
The IUPAC name of N-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine (CID 106012839) is N-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine.
What is the SMILES notation for N-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine?
The canonical SMILES for N-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine is CCCOc1ccnc(NCCCC2CCCC2)n1.
What is the InChIKey of N-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine?
The InChIKey is RYHDMVIVROQOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-12-19-14-9-11-17-15(18-14)16-10-5-8-13-6-3-4-7-13/h9,11,13H,2-8,10,12H2,1H3,(H,16,17,18).
What are the key properties of N-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine?
N-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine has a molecular weight of 263.38 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine is sourced from PubChem (CID 106012839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).