4-chloro-5-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-2-amine

C14H14ClF2N3 — CID 87895848

IUPAC4-chloro-5-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1nc(N)nc(Cl)c1Cc1cc(F)cc(F)c1
InChIInChI=1S/C14H14ClF2N3/c1-7(2)12-11(13(15)20-14(18)19-12)5-8-3-9(16)6-10(17)4-8/h3-4,6-7H,5H2,1-2H3,(H2,18,19,20)
InChIKeyWTWXYGBKPSDXIN-UHFFFAOYSA-N
MW297.74 g/mol
LogP3.70
Rot. Bonds3

About 4-chloro-5-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-2-amine

4-chloro-5-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-2-amine (PubChem CID 87895848) has the molecular formula C14H14ClF2N3 and a molecular weight of 297.74 g/mol. Its IUPAC name is 4-chloro-5-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-5-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-2-amine
PubChem CID87895848
Molecular FormulaC14H14ClF2N3
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name4-chloro-5-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1nc(N)nc(Cl)c1Cc1cc(F)cc(F)c1
InChIInChI=1S/C14H14ClF2N3/c1-7(2)12-11(13(15)20-14(18)19-12)5-8-3-9(16)6-10(17)4-8/h3-4,6-7H,5H2,1-2H3,(H2,18,19,20)
InChIKeyWTWXYGBKPSDXIN-UHFFFAOYSA-N
XLogP3.70
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-chloro-5-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-2-amine (CID 87895848) is 4-chloro-5-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-5-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-5-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-2-amine is CC(C)c1nc(N)nc(Cl)c1Cc1cc(F)cc(F)c1.
What is the InChIKey of 4-chloro-5-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-2-amine?
The InChIKey is WTWXYGBKPSDXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2N3/c1-7(2)12-11(13(15)20-14(18)19-12)5-8-3-9(16)6-10(17)4-8/h3-4,6-7H,5H2,1-2H3,(H2,18,19,20).
What are the key properties of 4-chloro-5-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-2-amine?
4-chloro-5-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-2-amine has a molecular weight of 297.74 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 87895848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).