N-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine

C17H20F3N5 — CID 171995951

IUPACN-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1ncccc1CN1CCC(N(C)c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C17H20F3N5/c1-12-13(4-3-7-21-12)10-25-9-6-14(11-25)24(2)16-22-8-5-15(23-16)17(18,19)20/h3-5,7-8,14H,6,9-11H2,1-2H3
InChIKeyUFMAECIHVAUSEB-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.91
Rot. Bonds4

About N-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine

N-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 171995951) has the molecular formula C17H20F3N5 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID171995951
Molecular FormulaC17H20F3N5
Molecular Weight351.38 g/mol
Exact Mass351.17
IUPAC NameN-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1ncccc1CN1CCC(N(C)c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C17H20F3N5/c1-12-13(4-3-7-21-12)10-25-9-6-14(11-25)24(2)16-22-8-5-15(23-16)17(18,19)20/h3-5,7-8,14H,6,9-11H2,1-2H3
InChIKeyUFMAECIHVAUSEB-UHFFFAOYSA-N
XLogP2.91
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 171995951) is N-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine is Cc1ncccc1CN1CCC(N(C)c2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of N-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is UFMAECIHVAUSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5/c1-12-13(4-3-7-21-12)10-25-9-6-14(11-25)24(2)16-22-8-5-15(23-16)17(18,19)20/h3-5,7-8,14H,6,9-11H2,1-2H3.
What are the key properties of N-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 351.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 171995951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).