4-(3-methoxypyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine

C13H19F3N4O — CID 103541860

IUPAC4-(3-methoxypyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCNc1nc(N2CCC(OC)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-3-5-17-12-18-10(13(14,15)16)7-11(19-12)20-6-4-9(8-20)21-2/h7,9H,3-6,8H2,1-2H3,(H,17,18,19)
InChIKeyMKLALBRAIICGOV-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.54
Rot. Bonds5

About 4-(3-methoxypyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine

4-(3-methoxypyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 103541860) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-(3-methoxypyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methoxypyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID103541860
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name4-(3-methoxypyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCNc1nc(N2CCC(OC)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-3-5-17-12-18-10(13(14,15)16)7-11(19-12)20-6-4-9(8-20)21-2/h7,9H,3-6,8H2,1-2H3,(H,17,18,19)
InChIKeyMKLALBRAIICGOV-UHFFFAOYSA-N
XLogP2.54
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(3-methoxypyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 103541860) is 4-(3-methoxypyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-methoxypyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-methoxypyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine is CCCNc1nc(N2CCC(OC)C2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(3-methoxypyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is MKLALBRAIICGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-3-5-17-12-18-10(13(14,15)16)7-11(19-12)20-6-4-9(8-20)21-2/h7,9H,3-6,8H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(3-methoxypyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-(3-methoxypyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 304.32 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 103541860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).