N-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine

C12H18F3N3 — CID 62746030

IUPACN-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(CC(F)(F)F)nc(C)c1CNC(C)C
InChIInChI=1S/C12H18F3N3/c1-7(2)16-6-10-8(3)17-11(18-9(10)4)5-12(13,14)15/h7,16H,5-6H2,1-4H3
InChIKeyKUAZUDPJHKISDK-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.70
Rot. Bonds4

About N-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine

N-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 62746030) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine
PubChem CID62746030
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC NameN-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(CC(F)(F)F)nc(C)c1CNC(C)C
InChIInChI=1S/C12H18F3N3/c1-7(2)16-6-10-8(3)17-11(18-9(10)4)5-12(13,14)15/h7,16H,5-6H2,1-4H3
InChIKeyKUAZUDPJHKISDK-UHFFFAOYSA-N
XLogP2.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine (CID 62746030) is N-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine is Cc1nc(CC(F)(F)F)nc(C)c1CNC(C)C.
What is the InChIKey of N-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is KUAZUDPJHKISDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-7(2)16-6-10-8(3)17-11(18-9(10)4)5-12(13,14)15/h7,16H,5-6H2,1-4H3.
What are the key properties of N-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine?
N-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 261.29 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62746030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).