6-chloro-5-fluoropyrimidine-2,4-diamine

C4H4ClFN4 — CID 15221578

IUPAC6-chloro-5-fluoropyrimidine-2,4-diamine
SMILESNc1nc(N)c(F)c(Cl)n1
InChIInChI=1S/C4H4ClFN4/c5-2-1(6)3(7)10-4(8)9-2/h(H4,7,8,9,10)
InChIKeyLRQHYYHWMHCRQP-UHFFFAOYSA-N
MW162.56 g/mol
LogP0.43
Rot. Bonds

About 6-chloro-5-fluoropyrimidine-2,4-diamine

6-chloro-5-fluoropyrimidine-2,4-diamine (PubChem CID 15221578) has the molecular formula C4H4ClFN4 and a molecular weight of 162.56 g/mol. Its IUPAC name is 6-chloro-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-5-fluoropyrimidine-2,4-diamine
PubChem CID15221578
Molecular FormulaC4H4ClFN4
Molecular Weight162.56 g/mol
Exact Mass162.01
IUPAC Name6-chloro-5-fluoropyrimidine-2,4-diamine
SMILESNc1nc(N)c(F)c(Cl)n1
InChIInChI=1S/C4H4ClFN4/c5-2-1(6)3(7)10-4(8)9-2/h(H4,7,8,9,10)
InChIKeyLRQHYYHWMHCRQP-UHFFFAOYSA-N
XLogP0.43
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.56
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-5-fluoropyrimidine-2,4-diamine (CID 15221578) is 6-chloro-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-5-fluoropyrimidine-2,4-diamine is Nc1nc(N)c(F)c(Cl)n1.
What is the InChIKey of 6-chloro-5-fluoropyrimidine-2,4-diamine?
The InChIKey is LRQHYYHWMHCRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClFN4/c5-2-1(6)3(7)10-4(8)9-2/h(H4,7,8,9,10).
What are the key properties of 6-chloro-5-fluoropyrimidine-2,4-diamine?
6-chloro-5-fluoropyrimidine-2,4-diamine has a molecular weight of 162.56 g/mol, XLogP of 0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 15221578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).