2,6-dichloro-4-N-(5-fluoro-2-pyridinyl)pyrimidine-4,5-diamine

C9H6Cl2FN5 — CID 175967403

IUPAC2,6-dichloro-4-N-(5-fluoro-2-pyridinyl)pyrimidine-4,5-diamine
SMILESNc1c(Cl)nc(Cl)nc1Nc1ccc(F)cn1
InChIInChI=1S/C9H6Cl2FN5/c10-7-6(13)8(17-9(11)16-7)15-5-2-1-4(12)3-14-5/h1-3H,13H2,(H,14,15,16,17)
InChIKeyYFCFUCOBYYIZQX-UHFFFAOYSA-N
MW274.09 g/mol
LogP2.64
Rot. Bonds2

About 2,6-dichloro-4-N-(5-fluoro-2-pyridinyl)pyrimidine-4,5-diamine

2,6-dichloro-4-N-(5-fluoro-2-pyridinyl)pyrimidine-4,5-diamine (PubChem CID 175967403) has the molecular formula C9H6Cl2FN5 and a molecular weight of 274.09 g/mol. Its IUPAC name is 2,6-dichloro-4-N-(5-fluoro-2-pyridinyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2,6-dichloro-4-N-(5-fluoro-2-pyridinyl)pyrimidine-4,5-diamine
PubChem CID175967403
Molecular FormulaC9H6Cl2FN5
Molecular Weight274.09 g/mol
Exact Mass273.00
IUPAC Name2,6-dichloro-4-N-(5-fluoro-2-pyridinyl)pyrimidine-4,5-diamine
SMILESNc1c(Cl)nc(Cl)nc1Nc1ccc(F)cn1
InChIInChI=1S/C9H6Cl2FN5/c10-7-6(13)8(17-9(11)16-7)15-5-2-1-4(12)3-14-5/h1-3H,13H2,(H,14,15,16,17)
InChIKeyYFCFUCOBYYIZQX-UHFFFAOYSA-N
XLogP2.64
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.09
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-N-(5-fluoro-2-pyridinyl)pyridin-2-amine
CID 135228039
4-chloro-N-(5-fluoro-2-pyridinyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 94674065
6-amino-3-chloro-N-(5-fluoro-2-pyridinyl)pyridine-2-carboxamide
CID 65482280
6-chloro-N-(5-fluoro-2-pyridinyl)pyridine-2-carboxamide
CID 63236254
N-(1,3-dimethylpyrazol-4-yl)-5-fluoropyridin-2-amine
CID 102806096
2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103893264
2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine
CID 61467027
3-amino-2-chloro-N-(5-fluoro-2-pyridinyl)benzamide
CID 112576003
N-[(4-chlorophenyl)methyl]-5-fluoropyridin-2-amine
CID 61313125
6-N-(2,5-dichloropyrimidin-4-yl)quinoxaline-5,6-diamine;quinoxaline-5,6-diamine;2,4,5-trichloropyrimidine
CID 167646336
2-(5-fluoro-2-pyridinyl)-1,1-dimethylhydrazine
CID 83025628
6-N-(5-chloro-2-pyridinyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544968

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-N-(5-fluoro-2-pyridinyl)pyrimidine-4,5-diamine?
The IUPAC name of 2,6-dichloro-4-N-(5-fluoro-2-pyridinyl)pyrimidine-4,5-diamine (CID 175967403) is 2,6-dichloro-4-N-(5-fluoro-2-pyridinyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 2,6-dichloro-4-N-(5-fluoro-2-pyridinyl)pyrimidine-4,5-diamine?
The canonical SMILES for 2,6-dichloro-4-N-(5-fluoro-2-pyridinyl)pyrimidine-4,5-diamine is Nc1c(Cl)nc(Cl)nc1Nc1ccc(F)cn1.
What is the InChIKey of 2,6-dichloro-4-N-(5-fluoro-2-pyridinyl)pyrimidine-4,5-diamine?
The InChIKey is YFCFUCOBYYIZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2FN5/c10-7-6(13)8(17-9(11)16-7)15-5-2-1-4(12)3-14-5/h1-3H,13H2,(H,14,15,16,17).
What are the key properties of 2,6-dichloro-4-N-(5-fluoro-2-pyridinyl)pyrimidine-4,5-diamine?
2,6-dichloro-4-N-(5-fluoro-2-pyridinyl)pyrimidine-4,5-diamine has a molecular weight of 274.09 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-N-(5-fluoro-2-pyridinyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 175967403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).