N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C13H17F3N4O — CID 56872482

IUPACN-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCNc1nc(N2CCOC(C(F)(F)F)C2)nc2c1CCC2
InChIInChI=1S/C13H17F3N4O/c1-17-11-8-3-2-4-9(8)18-12(19-11)20-5-6-21-10(7-20)13(14,15)16/h10H,2-7H2,1H3,(H,17,18,19)
InChIKeyUAYZKRBWXXYZAU-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.77
Rot. Bonds2

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

N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 56872482) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID56872482
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC NameN-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCNc1nc(N2CCOC(C(F)(F)F)C2)nc2c1CCC2
InChIInChI=1S/C13H17F3N4O/c1-17-11-8-3-2-4-9(8)18-12(19-11)20-5-6-21-10(7-20)13(14,15)16/h10H,2-7H2,1H3,(H,17,18,19)
InChIKeyUAYZKRBWXXYZAU-UHFFFAOYSA-N
XLogP1.77
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 56872482) is N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CNc1nc(N2CCOC(C(F)(F)F)C2)nc2c1CCC2.
What is the InChIKey of N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is UAYZKRBWXXYZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c1-17-11-8-3-2-4-9(8)18-12(19-11)20-5-6-21-10(7-20)13(14,15)16/h10H,2-7H2,1H3,(H,17,18,19).
What are the key properties of N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 302.30 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 56872482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).