N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine

C12H14F3N5 — CID 59728181

IUPACN-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)N(Cc1cnc[nH]1)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N5/c1-8(2)20(6-9-5-16-7-18-9)10-3-4-17-11(19-10)12(13,14)15/h3-5,7-8H,6H2,1-2H3,(H,16,18)
InChIKeyQMIUZIWSOJOISD-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.63
Rot. Bonds4

About N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine

N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 59728181) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID59728181
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC NameN-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)N(Cc1cnc[nH]1)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N5/c1-8(2)20(6-9-5-16-7-18-9)10-3-4-17-11(19-10)12(13,14)15/h3-5,7-8H,6H2,1-2H3,(H,16,18)
InChIKeyQMIUZIWSOJOISD-UHFFFAOYSA-N
XLogP2.63
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine (CID 59728181) is N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine is CC(C)N(Cc1cnc[nH]1)c1ccnc(C(F)(F)F)n1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is QMIUZIWSOJOISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-8(2)20(6-9-5-16-7-18-9)10-3-4-17-11(19-10)12(13,14)15/h3-5,7-8H,6H2,1-2H3,(H,16,18).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine?
N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 285.27 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 59728181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).