1-methyl-5-propan-2-yl-4-(trifluoromethyl)-2H-pyrimidin-2-amine

C9H14F3N3 — CID 70844858

IUPAC1-methyl-5-propan-2-yl-4-(trifluoromethyl)-2H-pyrimidin-2-amine
SMILESCC(C)C1=CN(C)C(N)N=C1C(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-5(2)6-4-15(3)8(13)14-7(6)9(10,11)12/h4-5,8H,13H2,1-3H3
InChIKeyDPWVCLUHRCTGKI-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.72
Rot. Bonds1

About 1-methyl-5-propan-2-yl-4-(trifluoromethyl)-2H-pyrimidin-2-amine

1-methyl-5-propan-2-yl-4-(trifluoromethyl)-2H-pyrimidin-2-amine (PubChem CID 70844858) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is 1-methyl-5-propan-2-yl-4-(trifluoromethyl)-2H-pyrimidin-2-amine.

Molecular Properties

Compound Name1-methyl-5-propan-2-yl-4-(trifluoromethyl)-2H-pyrimidin-2-amine
PubChem CID70844858
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name1-methyl-5-propan-2-yl-4-(trifluoromethyl)-2H-pyrimidin-2-amine
SMILESCC(C)C1=CN(C)C(N)N=C1C(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-5(2)6-4-15(3)8(13)14-7(6)9(10,11)12/h4-5,8H,13H2,1-3H3
InChIKeyDPWVCLUHRCTGKI-UHFFFAOYSA-N
XLogP1.72
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propan-2-yl-4-(trifluoromethyl)-2H-pyrimidin-2-amine?
The IUPAC name of 1-methyl-5-propan-2-yl-4-(trifluoromethyl)-2H-pyrimidin-2-amine (CID 70844858) is 1-methyl-5-propan-2-yl-4-(trifluoromethyl)-2H-pyrimidin-2-amine.
What is the SMILES notation for 1-methyl-5-propan-2-yl-4-(trifluoromethyl)-2H-pyrimidin-2-amine?
The canonical SMILES for 1-methyl-5-propan-2-yl-4-(trifluoromethyl)-2H-pyrimidin-2-amine is CC(C)C1=CN(C)C(N)N=C1C(F)(F)F.
What is the InChIKey of 1-methyl-5-propan-2-yl-4-(trifluoromethyl)-2H-pyrimidin-2-amine?
The InChIKey is DPWVCLUHRCTGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-5(2)6-4-15(3)8(13)14-7(6)9(10,11)12/h4-5,8H,13H2,1-3H3.
What are the key properties of 1-methyl-5-propan-2-yl-4-(trifluoromethyl)-2H-pyrimidin-2-amine?
1-methyl-5-propan-2-yl-4-(trifluoromethyl)-2H-pyrimidin-2-amine has a molecular weight of 221.23 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propan-2-yl-4-(trifluoromethyl)-2H-pyrimidin-2-amine is sourced from PubChem (CID 70844858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).