6-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-4-amine

C13H19F2N3O — CID 103150491

IUPAC6-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-4-amine
SMILESNc1cc(C2CCCC2)nc(CCOCC(F)F)n1
InChIInChI=1S/C13H19F2N3O/c14-11(15)8-19-6-5-13-17-10(7-12(16)18-13)9-3-1-2-4-9/h7,9,11H,1-6,8H2,(H2,16,17,18)
InChIKeyWLHKJJVCMWJMOQ-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.54
Rot. Bonds6

About 6-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-4-amine

6-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-4-amine (PubChem CID 103150491) has the molecular formula C13H19F2N3O and a molecular weight of 271.31 g/mol. Its IUPAC name is 6-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-4-amine
PubChem CID103150491
Molecular FormulaC13H19F2N3O
Molecular Weight271.31 g/mol
Exact Mass271.15
IUPAC Name6-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-4-amine
SMILESNc1cc(C2CCCC2)nc(CCOCC(F)F)n1
InChIInChI=1S/C13H19F2N3O/c14-11(15)8-19-6-5-13-17-10(7-12(16)18-13)9-3-1-2-4-9/h7,9,11H,1-6,8H2,(H2,16,17,18)
InChIKeyWLHKJJVCMWJMOQ-UHFFFAOYSA-N
XLogP2.54
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.54
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

2-(2-aminoethyl)-6-cyclopropylpyrimidin-4-amine;hydrochloride
CID 82393941
2-(cyclohexylsulfanylmethyl)-6-cyclopropylpyrimidin-4-amine
CID 65144022
2-[2-(2,2-difluoroethoxy)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 103150346
[3-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-5-yl]methanamine
CID 103150841
6-cyclobutylpyrimidine-2,4-diamine
CID 156773674
6-cyclohexyl-2-propan-2-ylpyrimidin-4-amine
CID 130056199
6-cyclopentyl-2-(1-methoxyethyl)pyrimidin-4-amine
CID 102551445
4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine
CID 103146688
6-cyclohexyl-2-(1-methoxyethyl)pyrimidin-4-amine
CID 102551444
4-chloro-6-cyclopentyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
CID 103473601
5-bromo-4-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842481
2-[2-(2,2-difluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103150235

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-4-amine (CID 103150491) is 6-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-4-amine is Nc1cc(C2CCCC2)nc(CCOCC(F)F)n1.
What is the InChIKey of 6-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-4-amine?
The InChIKey is WLHKJJVCMWJMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O/c14-11(15)8-19-6-5-13-17-10(7-12(16)18-13)9-3-1-2-4-9/h7,9,11H,1-6,8H2,(H2,16,17,18).
What are the key properties of 6-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-4-amine?
6-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-4-amine has a molecular weight of 271.31 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 103150491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).