5-chloro-4-(cyclopentylmethoxy)-N-ethylpyrimidin-2-amine

C12H18ClN3O — CID 80877801

IUPAC5-chloro-4-(cyclopentylmethoxy)-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(OCC2CCCC2)n1
InChIInChI=1S/C12H18ClN3O/c1-2-14-12-15-7-10(13)11(16-12)17-8-9-5-3-4-6-9/h7,9H,2-6,8H2,1H3,(H,14,15,16)
InChIKeyWZTOECVPJWOMRJ-UHFFFAOYSA-N
MW255.75 g/mol
LogP3.13
Rot. Bonds5

About 5-chloro-4-(cyclopentylmethoxy)-N-ethylpyrimidin-2-amine

5-chloro-4-(cyclopentylmethoxy)-N-ethylpyrimidin-2-amine (PubChem CID 80877801) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-chloro-4-(cyclopentylmethoxy)-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(cyclopentylmethoxy)-N-ethylpyrimidin-2-amine
PubChem CID80877801
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name5-chloro-4-(cyclopentylmethoxy)-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(OCC2CCCC2)n1
InChIInChI=1S/C12H18ClN3O/c1-2-14-12-15-7-10(13)11(16-12)17-8-9-5-3-4-6-9/h7,9H,2-6,8H2,1H3,(H,14,15,16)
InChIKeyWZTOECVPJWOMRJ-UHFFFAOYSA-N
XLogP3.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopentylmethoxy)-N-ethyl-5-fluoropyrimidin-2-amine
CID 80877804
5-chloro-4-cycloheptyloxy-N-ethylpyrimidin-2-amine
CID 80870663
5-chloro-N-ethyl-4-(3-methylbutoxy)pyrimidin-2-amine
CID 80858510
3,5-dichloro-N-ethyl-6-(oxan-4-ylmethoxy)pyridin-2-amine
CID 102760933
5-chloro-N-ethyl-4-(3-methylbut-3-enoxy)pyrimidin-2-amine
CID 114471144
4-(cyclohexylmethoxy)-N,5-dimethylpyrimidin-2-amine
CID 80880904
N-[[5-chloro-6-(cyclopentylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 66321851
4-cycloheptyloxy-N-ethyl-5-methylpyrimidin-2-amine
CID 80871066
4-(cyclohexylmethoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 80879473
4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80783715
6-(cyclopentylmethoxy)-N,5-diethylpyrimidin-4-amine
CID 80877477
5-chloro-N-ethyl-4-(2-methylphenoxy)pyrimidin-2-amine
CID 80869054

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(cyclopentylmethoxy)-N-ethylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(cyclopentylmethoxy)-N-ethylpyrimidin-2-amine (CID 80877801) is 5-chloro-4-(cyclopentylmethoxy)-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(cyclopentylmethoxy)-N-ethylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(cyclopentylmethoxy)-N-ethylpyrimidin-2-amine is CCNc1ncc(Cl)c(OCC2CCCC2)n1.
What is the InChIKey of 5-chloro-4-(cyclopentylmethoxy)-N-ethylpyrimidin-2-amine?
The InChIKey is WZTOECVPJWOMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-2-14-12-15-7-10(13)11(16-12)17-8-9-5-3-4-6-9/h7,9H,2-6,8H2,1H3,(H,14,15,16).
What are the key properties of 5-chloro-4-(cyclopentylmethoxy)-N-ethylpyrimidin-2-amine?
5-chloro-4-(cyclopentylmethoxy)-N-ethylpyrimidin-2-amine has a molecular weight of 255.75 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(cyclopentylmethoxy)-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 80877801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).