N,6-dimethyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine

C12H18F3N3 — CID 79964419

IUPACN,6-dimethyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCNc1nc(CCC(F)(F)F)nc(C)c1C(C)C
InChIInChI=1S/C12H18F3N3/c1-7(2)10-8(3)17-9(18-11(10)16-4)5-6-12(13,14)15/h7H,5-6H2,1-4H3,(H,16,17,18)
InChIKeyDUTHCFPGXDMILY-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.45
Rot. Bonds4

About N,6-dimethyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine

N,6-dimethyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine (PubChem CID 79964419) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is N,6-dimethyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
PubChem CID79964419
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC NameN,6-dimethyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCNc1nc(CCC(F)(F)F)nc(C)c1C(C)C
InChIInChI=1S/C12H18F3N3/c1-7(2)10-8(3)17-9(18-11(10)16-4)5-6-12(13,14)15/h7H,5-6H2,1-4H3,(H,16,17,18)
InChIKeyDUTHCFPGXDMILY-UHFFFAOYSA-N
XLogP3.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine (CID 79964419) is N,6-dimethyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine is CNc1nc(CCC(F)(F)F)nc(C)c1C(C)C.
What is the InChIKey of N,6-dimethyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The InChIKey is DUTHCFPGXDMILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-7(2)10-8(3)17-9(18-11(10)16-4)5-6-12(13,14)15/h7H,5-6H2,1-4H3,(H,16,17,18).
What are the key properties of N,6-dimethyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
N,6-dimethyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine has a molecular weight of 261.29 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine is sourced from PubChem (CID 79964419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).