N-(1-methoxybutan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine

C10H14F3N3O — CID 141126355

IUPACN-(1-methoxybutan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCCC(COC)Nc1ncncc1C(F)(F)F
InChIInChI=1S/C10H14F3N3O/c1-3-7(5-17-2)16-9-8(10(11,12)13)4-14-6-15-9/h4,6-7H,3,5H2,1-2H3,(H,14,15,16)
InChIKeyDYHRCLLWSSDICB-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.33
Rot. Bonds5

About N-(1-methoxybutan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine

N-(1-methoxybutan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 141126355) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-(1-methoxybutan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-methoxybutan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID141126355
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-(1-methoxybutan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCCC(COC)Nc1ncncc1C(F)(F)F
InChIInChI=1S/C10H14F3N3O/c1-3-7(5-17-2)16-9-8(10(11,12)13)4-14-6-15-9/h4,6-7H,3,5H2,1-2H3,(H,14,15,16)
InChIKeyDYHRCLLWSSDICB-UHFFFAOYSA-N
XLogP2.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxybutan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(1-methoxybutan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine (CID 141126355) is N-(1-methoxybutan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(1-methoxybutan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(1-methoxybutan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine is CCC(COC)Nc1ncncc1C(F)(F)F.
What is the InChIKey of N-(1-methoxybutan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is DYHRCLLWSSDICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-3-7(5-17-2)16-9-8(10(11,12)13)4-14-6-15-9/h4,6-7H,3,5H2,1-2H3,(H,14,15,16).
What are the key properties of N-(1-methoxybutan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine?
N-(1-methoxybutan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 249.24 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxybutan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 141126355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).