4-cyclohexyl-4-(2,4-difluorophenyl)-1H-pyrimidin-2-amine

C16H19F2N3 — CID 68718506

IUPAC4-cyclohexyl-4-(2,4-difluorophenyl)-1H-pyrimidin-2-amine
SMILESNC1=NC(c2ccc(F)cc2F)(C2CCCCC2)C=CN1
InChIInChI=1S/C16H19F2N3/c17-12-6-7-13(14(18)10-12)16(8-9-20-15(19)21-16)11-4-2-1-3-5-11/h6-11H,1-5H2,(H3,19,20,21)
InChIKeyJFKXNUUYMVIIFO-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.17
Rot. Bonds2

About 4-cyclohexyl-4-(2,4-difluorophenyl)-1H-pyrimidin-2-amine

4-cyclohexyl-4-(2,4-difluorophenyl)-1H-pyrimidin-2-amine (PubChem CID 68718506) has the molecular formula C16H19F2N3 and a molecular weight of 291.34 g/mol. Its IUPAC name is 4-cyclohexyl-4-(2,4-difluorophenyl)-1H-pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclohexyl-4-(2,4-difluorophenyl)-1H-pyrimidin-2-amine
PubChem CID68718506
Molecular FormulaC16H19F2N3
Molecular Weight291.34 g/mol
Exact Mass291.15
IUPAC Name4-cyclohexyl-4-(2,4-difluorophenyl)-1H-pyrimidin-2-amine
SMILESNC1=NC(c2ccc(F)cc2F)(C2CCCCC2)C=CN1
InChIInChI=1S/C16H19F2N3/c17-12-6-7-13(14(18)10-12)16(8-9-20-15(19)21-16)11-4-2-1-3-5-11/h6-11H,1-5H2,(H3,19,20,21)
InChIKeyJFKXNUUYMVIIFO-UHFFFAOYSA-N
XLogP3.17
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-4-(2,4-difluorophenyl)-1H-pyrimidin-2-amine?
The IUPAC name of 4-cyclohexyl-4-(2,4-difluorophenyl)-1H-pyrimidin-2-amine (CID 68718506) is 4-cyclohexyl-4-(2,4-difluorophenyl)-1H-pyrimidin-2-amine.
What is the SMILES notation for 4-cyclohexyl-4-(2,4-difluorophenyl)-1H-pyrimidin-2-amine?
The canonical SMILES for 4-cyclohexyl-4-(2,4-difluorophenyl)-1H-pyrimidin-2-amine is NC1=NC(c2ccc(F)cc2F)(C2CCCCC2)C=CN1.
What is the InChIKey of 4-cyclohexyl-4-(2,4-difluorophenyl)-1H-pyrimidin-2-amine?
The InChIKey is JFKXNUUYMVIIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3/c17-12-6-7-13(14(18)10-12)16(8-9-20-15(19)21-16)11-4-2-1-3-5-11/h6-11H,1-5H2,(H3,19,20,21).
What are the key properties of 4-cyclohexyl-4-(2,4-difluorophenyl)-1H-pyrimidin-2-amine?
4-cyclohexyl-4-(2,4-difluorophenyl)-1H-pyrimidin-2-amine has a molecular weight of 291.34 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-4-(2,4-difluorophenyl)-1H-pyrimidin-2-amine is sourced from PubChem (CID 68718506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).