N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C21H20F2N4O — CID 166278848

IUPACN-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1ccc(Nc2nc(-c3cccnc3)nc3c2CCC3)cc1OCC(F)F
InChIInChI=1S/C21H20F2N4O/c1-13-7-8-15(10-18(13)28-12-19(22)23)25-21-16-5-2-6-17(16)26-20(27-21)14-4-3-9-24-11-14/h3-4,7-11,19H,2,5-6,12H2,1H3,(H,25,26,27)
InChIKeyUATIBIJOUHOUIC-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.72
Rot. Bonds6

About N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 166278848) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID166278848
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC NameN-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1ccc(Nc2nc(-c3cccnc3)nc3c2CCC3)cc1OCC(F)F
InChIInChI=1S/C21H20F2N4O/c1-13-7-8-15(10-18(13)28-12-19(22)23)25-21-16-5-2-6-17(16)26-20(27-21)14-4-3-9-24-11-14/h3-4,7-11,19H,2,5-6,12H2,1H3,(H,25,26,27)
InChIKeyUATIBIJOUHOUIC-UHFFFAOYSA-N
XLogP4.72
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 166278848) is N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Cc1ccc(Nc2nc(-c3cccnc3)nc3c2CCC3)cc1OCC(F)F.
What is the InChIKey of N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is UATIBIJOUHOUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c1-13-7-8-15(10-18(13)28-12-19(22)23)25-21-16-5-2-6-17(16)26-20(27-21)14-4-3-9-24-11-14/h3-4,7-11,19H,2,5-6,12H2,1H3,(H,25,26,27).
What are the key properties of N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 382.41 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 166278848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).