N,N-dimethyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine

C10H14F3N3 — CID 58115879

IUPACN,N-dimethyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)c1nc(N(C)C)ncc1C(F)(F)F
InChIInChI=1S/C10H14F3N3/c1-6(2)8-7(10(11,12)13)5-14-9(15-8)16(3)4/h5-6H,1-4H3
InChIKeyDMUWEHUCKMVOCS-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.68
Rot. Bonds2

About N,N-dimethyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine

N,N-dimethyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 58115879) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is N,N-dimethyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID58115879
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC NameN,N-dimethyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)c1nc(N(C)C)ncc1C(F)(F)F
InChIInChI=1S/C10H14F3N3/c1-6(2)8-7(10(11,12)13)5-14-9(15-8)16(3)4/h5-6H,1-4H3
InChIKeyDMUWEHUCKMVOCS-UHFFFAOYSA-N
XLogP2.68
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine (CID 58115879) is N,N-dimethyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine is CC(C)c1nc(N(C)C)ncc1C(F)(F)F.
What is the InChIKey of N,N-dimethyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is DMUWEHUCKMVOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-6(2)8-7(10(11,12)13)5-14-9(15-8)16(3)4/h5-6H,1-4H3.
What are the key properties of N,N-dimethyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine?
N,N-dimethyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 233.24 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 58115879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).