N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C14H17F3N6 — CID 56877238

IUPACN-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCNc1ncc(CN(C)c2nccc(CCC(F)(F)F)n2)cn1
InChIInChI=1S/C14H17F3N6/c1-18-12-20-7-10(8-21-12)9-23(2)13-19-6-4-11(22-13)3-5-14(15,16)17/h4,6-8H,3,5,9H2,1-2H3,(H,18,20,21)
InChIKeyAGLYQTLVYPGVNG-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.44
Rot. Bonds6

About N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 56877238) has the molecular formula C14H17F3N6 and a molecular weight of 326.33 g/mol. Its IUPAC name is N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID56877238
Molecular FormulaC14H17F3N6
Molecular Weight326.33 g/mol
Exact Mass326.15
IUPAC NameN-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCNc1ncc(CN(C)c2nccc(CCC(F)(F)F)n2)cn1
InChIInChI=1S/C14H17F3N6/c1-18-12-20-7-10(8-21-12)9-23(2)13-19-6-4-11(22-13)3-5-14(15,16)17/h4,6-8H,3,5,9H2,1-2H3,(H,18,20,21)
InChIKeyAGLYQTLVYPGVNG-UHFFFAOYSA-N
XLogP2.44
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 56877238) is N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is CNc1ncc(CN(C)c2nccc(CCC(F)(F)F)n2)cn1.
What is the InChIKey of N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is AGLYQTLVYPGVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6/c1-18-12-20-7-10(8-21-12)9-23(2)13-19-6-4-11(22-13)3-5-14(15,16)17/h4,6-8H,3,5,9H2,1-2H3,(H,18,20,21).
What are the key properties of N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 326.33 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 56877238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).