1-methyl-N-(1,1,1-trifluoropropan-2-yl)-5,6-dihydro-4H-pyrimidin-2-amine

C8H14F3N3 — CID 127006759

IUPAC1-methyl-N-(1,1,1-trifluoropropan-2-yl)-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCC(NC1=NCCCN1C)C(F)(F)F
InChIInChI=1S/C8H14F3N3/c1-6(8(9,10)11)13-7-12-4-3-5-14(7)2/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyOMKPWTTTYYOSED-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.22
Rot. Bonds1

About 1-methyl-N-(1,1,1-trifluoropropan-2-yl)-5,6-dihydro-4H-pyrimidin-2-amine

1-methyl-N-(1,1,1-trifluoropropan-2-yl)-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 127006759) has the molecular formula C8H14F3N3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-methyl-N-(1,1,1-trifluoropropan-2-yl)-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name1-methyl-N-(1,1,1-trifluoropropan-2-yl)-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID127006759
Molecular FormulaC8H14F3N3
Molecular Weight209.21 g/mol
Exact Mass209.11
IUPAC Name1-methyl-N-(1,1,1-trifluoropropan-2-yl)-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCC(NC1=NCCCN1C)C(F)(F)F
InChIInChI=1S/C8H14F3N3/c1-6(8(9,10)11)13-7-12-4-3-5-14(7)2/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyOMKPWTTTYYOSED-UHFFFAOYSA-N
XLogP1.22
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]propane-1,3-diol
CID 130914635
N-(4,4-dimethylpent-1-yn-3-yl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 122096135
1-methyl-N-(2-methyl-2-propan-2-ylcyclopropyl)-5,6-dihydro-4H-pyrimidin-2-amine
CID 122098840
N-cyclopropyl-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 130898492
N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 122096075
1-methyl-N-[(3-methylphenyl)-phenylmethyl]-5,6-dihydro-4H-pyrimidin-2-amine
CID 23328932
N-[(4-iodophenyl)-phenylmethyl]-1-methyl-4,5,6,7-tetrahydro-1,3-diazepin-2-amine;hydroiodide
CID 70591359
N-[[2,5-difluoro-4-(trifluoromethyl)phenyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 122096128
1,2-dimethyl-5,6-dihydro-4H-pyrimidine;dihydroiodide
CID 172820210
N-(3,3-diphenylpropyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 19820447
1-methyl-N-(2H-tetrazol-5-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine
CID 130884716
1-methyl-5,6-dihydro-4H-pyrimidin-2-olate
CID 88533494

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1,1,1-trifluoropropan-2-yl)-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of 1-methyl-N-(1,1,1-trifluoropropan-2-yl)-5,6-dihydro-4H-pyrimidin-2-amine (CID 127006759) is 1-methyl-N-(1,1,1-trifluoropropan-2-yl)-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for 1-methyl-N-(1,1,1-trifluoropropan-2-yl)-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for 1-methyl-N-(1,1,1-trifluoropropan-2-yl)-5,6-dihydro-4H-pyrimidin-2-amine is CC(NC1=NCCCN1C)C(F)(F)F.
What is the InChIKey of 1-methyl-N-(1,1,1-trifluoropropan-2-yl)-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is OMKPWTTTYYOSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3/c1-6(8(9,10)11)13-7-12-4-3-5-14(7)2/h6H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 1-methyl-N-(1,1,1-trifluoropropan-2-yl)-5,6-dihydro-4H-pyrimidin-2-amine?
1-methyl-N-(1,1,1-trifluoropropan-2-yl)-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 209.21 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1,1,1-trifluoropropan-2-yl)-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 127006759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).