4,6-dichloro-5-fluoropyrimidin-2-amine

C4H2Cl2FN3 — CID 15221577

IUPAC4,6-dichloro-5-fluoropyrimidin-2-amine
SMILESNc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C4H2Cl2FN3/c5-2-1(7)3(6)10-4(8)9-2/h(H2,8,9,10)
InChIKeyPSEWFMLZDMIBMC-UHFFFAOYSA-N
MW181.98 g/mol
LogP1.50
Rot. Bonds

About 4,6-dichloro-5-fluoropyrimidin-2-amine

4,6-dichloro-5-fluoropyrimidin-2-amine (PubChem CID 15221577) has the molecular formula C4H2Cl2FN3 and a molecular weight of 181.98 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoropyrimidin-2-amine
PubChem CID15221577
Molecular FormulaC4H2Cl2FN3
Molecular Weight181.98 g/mol
Exact Mass180.96
IUPAC Name4,6-dichloro-5-fluoropyrimidin-2-amine
SMILESNc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C4H2Cl2FN3/c5-2-1(7)3(6)10-4(8)9-2/h(H2,8,9,10)
InChIKeyPSEWFMLZDMIBMC-UHFFFAOYSA-N
XLogP1.50
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.98
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11286675
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CID 597262
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CID 618288
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CID 53415881
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CID 12369426
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CID 22155671
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CID 13287430
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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-fluoropyrimidin-2-amine?
The IUPAC name of 4,6-dichloro-5-fluoropyrimidin-2-amine (CID 15221577) is 4,6-dichloro-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4,6-dichloro-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4,6-dichloro-5-fluoropyrimidin-2-amine is Nc1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-fluoropyrimidin-2-amine?
The InChIKey is PSEWFMLZDMIBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl2FN3/c5-2-1(7)3(6)10-4(8)9-2/h(H2,8,9,10).
What are the key properties of 4,6-dichloro-5-fluoropyrimidin-2-amine?
4,6-dichloro-5-fluoropyrimidin-2-amine has a molecular weight of 181.98 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 15221577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).