2,5-dichloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine

C7H6Cl2F3N3 — CID 87314086

IUPAC2,5-dichloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine
SMILESCC(Nc1nc(Cl)ncc1Cl)C(F)(F)F
InChIInChI=1S/C7H6Cl2F3N3/c1-3(7(10,11)12)14-5-4(8)2-13-6(9)15-5/h2-3H,1H3,(H,13,14,15)
InChIKeyUCBDVBBPVBEAAN-UHFFFAOYSA-N
MW260.05 g/mol
LogP3.15
Rot. Bonds2

About 2,5-dichloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine

2,5-dichloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine (PubChem CID 87314086) has the molecular formula C7H6Cl2F3N3 and a molecular weight of 260.05 g/mol. Its IUPAC name is 2,5-dichloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine
PubChem CID87314086
Molecular FormulaC7H6Cl2F3N3
Molecular Weight260.05 g/mol
Exact Mass258.99
IUPAC Name2,5-dichloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine
SMILESCC(Nc1nc(Cl)ncc1Cl)C(F)(F)F
InChIInChI=1S/C7H6Cl2F3N3/c1-3(7(10,11)12)14-5-4(8)2-13-6(9)15-5/h2-3H,1H3,(H,13,14,15)
InChIKeyUCBDVBBPVBEAAN-UHFFFAOYSA-N
XLogP3.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.05
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine (CID 87314086) is 2,5-dichloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine is CC(Nc1nc(Cl)ncc1Cl)C(F)(F)F.
What is the InChIKey of 2,5-dichloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine?
The InChIKey is UCBDVBBPVBEAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2F3N3/c1-3(7(10,11)12)14-5-4(8)2-13-6(9)15-5/h2-3H,1H3,(H,13,14,15).
What are the key properties of 2,5-dichloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine?
2,5-dichloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine has a molecular weight of 260.05 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 87314086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).