N-[[6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]propan-2-amine

C12H18F3N3 — CID 79964514

IUPACN-[[6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)nc(CCC(F)(F)F)n1
InChIInChI=1S/C12H18F3N3/c1-8(2)16-7-10-6-9(3)17-11(18-10)4-5-12(13,14)15/h6,8,16H,4-5,7H2,1-3H3
InChIKeyQORIHXRUXGWNHH-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.78
Rot. Bonds5

About N-[[6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]propan-2-amine

N-[[6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]propan-2-amine (PubChem CID 79964514) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-[[6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]propan-2-amine
PubChem CID79964514
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC NameN-[[6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)nc(CCC(F)(F)F)n1
InChIInChI=1S/C12H18F3N3/c1-8(2)16-7-10-6-9(3)17-11(18-10)4-5-12(13,14)15/h6,8,16H,4-5,7H2,1-3H3
InChIKeyQORIHXRUXGWNHH-UHFFFAOYSA-N
XLogP2.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[6-methyl-2-(propylsulfanylmethyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65129070
N-[[2-(cyclohexylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine
CID 65144269
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-2-amine
CID 55114190
2-methyl-N-[[6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 103476573
N-[[6-methyl-2-(2-methylphenyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 62746574
N-[[6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65400572
N-[[2-(cyclopropylmethoxy)-6-methylpyrimidin-4-yl]methyl]propan-2-amine
CID 114221213
N,4-dimethyl-6-[(propan-2-ylamino)methyl]-N-prop-2-ynylpyrimidin-2-amine
CID 114221002
N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66193569
N-[[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65328783
N-[[6-methyl-2-(3-methylcyclopentyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65415250
N-[[2-[2-(diethylamino)ethyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62744130

Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]propan-2-amine (CID 79964514) is N-[[6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]propan-2-amine is Cc1cc(CNC(C)C)nc(CCC(F)(F)F)n1.
What is the InChIKey of N-[[6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]propan-2-amine?
The InChIKey is QORIHXRUXGWNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-8(2)16-7-10-6-9(3)17-11(18-10)4-5-12(13,14)15/h6,8,16H,4-5,7H2,1-3H3.
What are the key properties of N-[[6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]propan-2-amine?
N-[[6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]propan-2-amine has a molecular weight of 261.29 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 79964514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).