4,6-dichloro-N-(4-fluorocyclohexyl)pyrimidin-2-amine

C10H12Cl2FN3 — CID 139300223

IUPAC4,6-dichloro-N-(4-fluorocyclohexyl)pyrimidin-2-amine
SMILESFC1CCC(Nc2nc(Cl)cc(Cl)n2)CC1
InChIInChI=1S/C10H12Cl2FN3/c11-8-5-9(12)16-10(15-8)14-7-3-1-6(13)2-4-7/h5-7H,1-4H2,(H,14,15,16)
InChIKeyQHDVMFQTAWPGJC-UHFFFAOYSA-N
MW264.13 g/mol
LogP3.48
Rot. Bonds2

About 4,6-dichloro-N-(4-fluorocyclohexyl)pyrimidin-2-amine

4,6-dichloro-N-(4-fluorocyclohexyl)pyrimidin-2-amine (PubChem CID 139300223) has the molecular formula C10H12Cl2FN3 and a molecular weight of 264.13 g/mol. Its IUPAC name is 4,6-dichloro-N-(4-fluorocyclohexyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(4-fluorocyclohexyl)pyrimidin-2-amine
PubChem CID139300223
Molecular FormulaC10H12Cl2FN3
Molecular Weight264.13 g/mol
Exact Mass263.04
IUPAC Name4,6-dichloro-N-(4-fluorocyclohexyl)pyrimidin-2-amine
SMILESFC1CCC(Nc2nc(Cl)cc(Cl)n2)CC1
InChIInChI=1S/C10H12Cl2FN3/c11-8-5-9(12)16-10(15-8)14-7-3-1-6(13)2-4-7/h5-7H,1-4H2,(H,14,15,16)
InChIKeyQHDVMFQTAWPGJC-UHFFFAOYSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(4-fluorocyclohexyl)pyrimidin-2-amine?
The IUPAC name of 4,6-dichloro-N-(4-fluorocyclohexyl)pyrimidin-2-amine (CID 139300223) is 4,6-dichloro-N-(4-fluorocyclohexyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(4-fluorocyclohexyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(4-fluorocyclohexyl)pyrimidin-2-amine is FC1CCC(Nc2nc(Cl)cc(Cl)n2)CC1.
What is the InChIKey of 4,6-dichloro-N-(4-fluorocyclohexyl)pyrimidin-2-amine?
The InChIKey is QHDVMFQTAWPGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2FN3/c11-8-5-9(12)16-10(15-8)14-7-3-1-6(13)2-4-7/h5-7H,1-4H2,(H,14,15,16).
What are the key properties of 4,6-dichloro-N-(4-fluorocyclohexyl)pyrimidin-2-amine?
4,6-dichloro-N-(4-fluorocyclohexyl)pyrimidin-2-amine has a molecular weight of 264.13 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(4-fluorocyclohexyl)pyrimidin-2-amine is sourced from PubChem (CID 139300223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).