4,6-dichloro-5-(1,1-difluoropropyl)pyrimidin-2-amine;ethane

C9H13Cl2F2N3 — CID 163248125

IUPAC4,6-dichloro-5-(1,1-difluoropropyl)pyrimidin-2-amine;ethane
SMILESCC.CCC(F)(F)c1c(Cl)nc(N)nc1Cl
InChIInChI=1S/C7H7Cl2F2N3.C2H6/c1-2-7(10,11)3-4(8)13-6(12)14-5(3)9;1-2/h2H2,1H3,(H2,12,13,14);1-2H3
InChIKeyDKSMTZRGBMHNDA-UHFFFAOYSA-N
MW272.13 g/mol
LogP3.89
Rot. Bonds2

About 4,6-dichloro-5-(1,1-difluoropropyl)pyrimidin-2-amine;ethane

4,6-dichloro-5-(1,1-difluoropropyl)pyrimidin-2-amine;ethane (PubChem CID 163248125) has the molecular formula C9H13Cl2F2N3 and a molecular weight of 272.13 g/mol. Its IUPAC name is 4,6-dichloro-5-(1,1-difluoropropyl)pyrimidin-2-amine;ethane.

Molecular Properties

Compound Name4,6-dichloro-5-(1,1-difluoropropyl)pyrimidin-2-amine;ethane
PubChem CID163248125
Molecular FormulaC9H13Cl2F2N3
Molecular Weight272.13 g/mol
Exact Mass271.05
IUPAC Name4,6-dichloro-5-(1,1-difluoropropyl)pyrimidin-2-amine;ethane
SMILESCC.CCC(F)(F)c1c(Cl)nc(N)nc1Cl
InChIInChI=1S/C7H7Cl2F2N3.C2H6/c1-2-7(10,11)3-4(8)13-6(12)14-5(3)9;1-2/h2H2,1H3,(H2,12,13,14);1-2H3
InChIKeyDKSMTZRGBMHNDA-UHFFFAOYSA-N
XLogP3.89
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(1,1-difluoropropyl)pyrimidin-2-amine;ethane?
The IUPAC name of 4,6-dichloro-5-(1,1-difluoropropyl)pyrimidin-2-amine;ethane (CID 163248125) is 4,6-dichloro-5-(1,1-difluoropropyl)pyrimidin-2-amine;ethane.
What is the SMILES notation for 4,6-dichloro-5-(1,1-difluoropropyl)pyrimidin-2-amine;ethane?
The canonical SMILES for 4,6-dichloro-5-(1,1-difluoropropyl)pyrimidin-2-amine;ethane is CC.CCC(F)(F)c1c(Cl)nc(N)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-(1,1-difluoropropyl)pyrimidin-2-amine;ethane?
The InChIKey is DKSMTZRGBMHNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2F2N3.C2H6/c1-2-7(10,11)3-4(8)13-6(12)14-5(3)9;1-2/h2H2,1H3,(H2,12,13,14);1-2H3.
What are the key properties of 4,6-dichloro-5-(1,1-difluoropropyl)pyrimidin-2-amine;ethane?
4,6-dichloro-5-(1,1-difluoropropyl)pyrimidin-2-amine;ethane has a molecular weight of 272.13 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(1,1-difluoropropyl)pyrimidin-2-amine;ethane is sourced from PubChem (CID 163248125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).