6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-(ethoxymethyl)pyrimidin-4-amine

C14H20ClN3O — CID 106197293

IUPAC6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-(ethoxymethyl)pyrimidin-4-amine
SMILESCCOCc1nc(Cl)cc(NCCC2=CCCC2)n1
InChIInChI=1S/C14H20ClN3O/c1-2-19-10-14-17-12(15)9-13(18-14)16-8-7-11-5-3-4-6-11/h5,9H,2-4,6-8,10H2,1H3,(H,16,17,18)
InChIKeyODNKAHPRDLUKMO-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.58
Rot. Bonds7

About 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-(ethoxymethyl)pyrimidin-4-amine

6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-(ethoxymethyl)pyrimidin-4-amine (PubChem CID 106197293) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-(ethoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-(ethoxymethyl)pyrimidin-4-amine
PubChem CID106197293
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-(ethoxymethyl)pyrimidin-4-amine
SMILESCCOCc1nc(Cl)cc(NCCC2=CCCC2)n1
InChIInChI=1S/C14H20ClN3O/c1-2-19-10-14-17-12(15)9-13(18-14)16-8-7-11-5-3-4-6-11/h5,9H,2-4,6-8,10H2,1H3,(H,16,17,18)
InChIKeyODNKAHPRDLUKMO-UHFFFAOYSA-N
XLogP3.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.58
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

6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 113400806
N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine
CID 113400798
6-chloro-2-(ethoxymethyl)-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 113450725
6-chloro-2-(ethoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 106038178
N-(2-but-3-enoxyethyl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine
CID 114184791
6-chloro-2-(ethoxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
CID 106432075
4-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149272
N-[2-(cyclopenten-1-yl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 103844282
6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 82463136
6-chloro-N-cycloheptyl-2-(ethoxymethyl)pyrimidin-4-amine
CID 113400811
6-chloro-2-(ethoxymethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine
CID 114114416
6-chloro-2-(ethoxymethyl)-N-(1-methylcyclohexyl)pyrimidin-4-amine
CID 113400931

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-(ethoxymethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-(ethoxymethyl)pyrimidin-4-amine (CID 106197293) is 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-(ethoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-(ethoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-(ethoxymethyl)pyrimidin-4-amine is CCOCc1nc(Cl)cc(NCCC2=CCCC2)n1.
What is the InChIKey of 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-(ethoxymethyl)pyrimidin-4-amine?
The InChIKey is ODNKAHPRDLUKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-2-19-10-14-17-12(15)9-13(18-14)16-8-7-11-5-3-4-6-11/h5,9H,2-4,6-8,10H2,1H3,(H,16,17,18).
What are the key properties of 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-(ethoxymethyl)pyrimidin-4-amine?
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-(ethoxymethyl)pyrimidin-4-amine has a molecular weight of 281.79 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-(ethoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 106197293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).