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

C13H20F3N3 — CID 79964503

IUPACN-ethyl-6-methyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCCNc1nc(CCC(F)(F)F)nc(C)c1C(C)C
InChIInChI=1S/C13H20F3N3/c1-5-17-12-11(8(2)3)9(4)18-10(19-12)6-7-13(14,15)16/h8H,5-7H2,1-4H3,(H,17,18,19)
InChIKeySSLJPIGFAWHIDV-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.84
Rot. Bonds5

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

N-ethyl-6-methyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine (PubChem CID 79964503) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is N-ethyl-6-methyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
PubChem CID79964503
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC NameN-ethyl-6-methyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCCNc1nc(CCC(F)(F)F)nc(C)c1C(C)C
InChIInChI=1S/C13H20F3N3/c1-5-17-12-11(8(2)3)9(4)18-10(19-12)6-7-13(14,15)16/h8H,5-7H2,1-4H3,(H,17,18,19)
InChIKeySSLJPIGFAWHIDV-UHFFFAOYSA-N
XLogP3.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-methyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine (CID 79964503) is N-ethyl-6-methyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-methyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-methyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine is CCNc1nc(CCC(F)(F)F)nc(C)c1C(C)C.
What is the InChIKey of N-ethyl-6-methyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The InChIKey is SSLJPIGFAWHIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-5-17-12-11(8(2)3)9(4)18-10(19-12)6-7-13(14,15)16/h8H,5-7H2,1-4H3,(H,17,18,19).
What are the key properties of N-ethyl-6-methyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
N-ethyl-6-methyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine has a molecular weight of 275.32 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine is sourced from PubChem (CID 79964503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).