2-[4-(difluoromethyl)phenyl]-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C15H15F2N3 — CID 115525301

IUPAC2-[4-(difluoromethyl)phenyl]-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(C(F)F)cc2)nc2c1CCC2
InChIInChI=1S/C15H15F2N3/c1-18-15-11-3-2-4-12(11)19-14(20-15)10-7-5-9(6-8-10)13(16)17/h5-8,13H,2-4H2,1H3,(H,18,19,20)
InChIKeyMGSVJAFHVHONRZ-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.61
Rot. Bonds3

About 2-[4-(difluoromethyl)phenyl]-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-[4-(difluoromethyl)phenyl]-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 115525301) has the molecular formula C15H15F2N3 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)phenyl]-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)phenyl]-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID115525301
Molecular FormulaC15H15F2N3
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-[4-(difluoromethyl)phenyl]-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(C(F)F)cc2)nc2c1CCC2
InChIInChI=1S/C15H15F2N3/c1-18-15-11-3-2-4-12(11)19-14(20-15)10-7-5-9(6-8-10)13(16)17/h5-8,13H,2-4H2,1H3,(H,18,19,20)
InChIKeyMGSVJAFHVHONRZ-UHFFFAOYSA-N
XLogP3.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethyl)phenyl]-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472817
2-[3-(difluoromethyl)phenyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 115528392
2-(4-chlorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62192291
N-methyl-2-(4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62191053
N-methyl-2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62496442
N-methyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190595
2-(3-chloro-4-methoxyphenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 65022151
2-fluoro-4-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol
CID 136813750
2-[3-(difluoromethyl)phenyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 115528426
[2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62251407
2-methoxy-5-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol
CID 62204243
2-(3,5-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63479501

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)phenyl]-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-[4-(difluoromethyl)phenyl]-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 115525301) is 2-[4-(difluoromethyl)phenyl]-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-[4-(difluoromethyl)phenyl]-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-[4-(difluoromethyl)phenyl]-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CNc1nc(-c2ccc(C(F)F)cc2)nc2c1CCC2.
What is the InChIKey of 2-[4-(difluoromethyl)phenyl]-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is MGSVJAFHVHONRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3/c1-18-15-11-3-2-4-12(11)19-14(20-15)10-7-5-9(6-8-10)13(16)17/h5-8,13H,2-4H2,1H3,(H,18,19,20).
What are the key properties of 2-[4-(difluoromethyl)phenyl]-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-[4-(difluoromethyl)phenyl]-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 275.30 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)phenyl]-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 115525301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).