ethane;N-methyl-1-[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methanamine

C17H28F3N5 — CID 177142126

IUPACethane;N-methyl-1-[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methanamine
SMILESCC.CC.CNCc1cnc(-c2nc(C(F)(F)F)cn2C(C)C)nc1
InChIInChI=1S/C13H16F3N5.2C2H6/c1-8(2)21-7-10(13(14,15)16)20-12(21)11-18-5-9(4-17-3)6-19-11;2*1-2/h5-8,17H,4H2,1-3H3;2*1-2H3
InChIKeyCRIUPHUCZQJJJQ-UHFFFAOYSA-N
MW359.44 g/mol
LogP4.71
Rot. Bonds4

About ethane;N-methyl-1-[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methanamine

ethane;N-methyl-1-[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methanamine (PubChem CID 177142126) has the molecular formula C17H28F3N5 and a molecular weight of 359.44 g/mol. Its IUPAC name is ethane;N-methyl-1-[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Nameethane;N-methyl-1-[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methanamine
PubChem CID177142126
Molecular FormulaC17H28F3N5
Molecular Weight359.44 g/mol
Exact Mass359.23
IUPAC Nameethane;N-methyl-1-[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methanamine
SMILESCC.CC.CNCc1cnc(-c2nc(C(F)(F)F)cn2C(C)C)nc1
InChIInChI=1S/C13H16F3N5.2C2H6/c1-8(2)21-7-10(13(14,15)16)20-12(21)11-18-5-9(4-17-3)6-19-11;2*1-2/h5-8,17H,4H2,1-3H3;2*1-2H3
InChIKeyCRIUPHUCZQJJJQ-UHFFFAOYSA-N
XLogP4.71
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methanamine?
The IUPAC name of ethane;N-methyl-1-[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methanamine (CID 177142126) is ethane;N-methyl-1-[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methanamine.
What is the SMILES notation for ethane;N-methyl-1-[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methanamine?
The canonical SMILES for ethane;N-methyl-1-[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methanamine is CC.CC.CNCc1cnc(-c2nc(C(F)(F)F)cn2C(C)C)nc1.
What is the InChIKey of ethane;N-methyl-1-[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methanamine?
The InChIKey is CRIUPHUCZQJJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5.2C2H6/c1-8(2)21-7-10(13(14,15)16)20-12(21)11-18-5-9(4-17-3)6-19-11;2*1-2/h5-8,17H,4H2,1-3H3;2*1-2H3.
What are the key properties of ethane;N-methyl-1-[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methanamine?
ethane;N-methyl-1-[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methanamine has a molecular weight of 359.44 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-[2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-5-yl]methanamine is sourced from PubChem (CID 177142126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).