2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidin-4-amine

C11H10ClFN4 — CID 89400370

IUPAC2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidin-4-amine
SMILESCC(Nc1ccnc(Cl)n1)c1ccc(F)cn1
InChIInChI=1S/C11H10ClFN4/c1-7(9-3-2-8(13)6-15-9)16-10-4-5-14-11(12)17-10/h2-7H,1H3,(H,14,16,17)
InChIKeyWEGJDNWRMLCTLY-UHFFFAOYSA-N
MW252.68 g/mol
LogP2.84
Rot. Bonds3

About 2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidin-4-amine

2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidin-4-amine (PubChem CID 89400370) has the molecular formula C11H10ClFN4 and a molecular weight of 252.68 g/mol. Its IUPAC name is 2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidin-4-amine
PubChem CID89400370
Molecular FormulaC11H10ClFN4
Molecular Weight252.68 g/mol
Exact Mass252.06
IUPAC Name2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidin-4-amine
SMILESCC(Nc1ccnc(Cl)n1)c1ccc(F)cn1
InChIInChI=1S/C11H10ClFN4/c1-7(9-3-2-8(13)6-15-9)16-10-4-5-14-11(12)17-10/h2-7H,1H3,(H,14,16,17)
InChIKeyWEGJDNWRMLCTLY-UHFFFAOYSA-N
XLogP2.84
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117908
2-chloro-N-[1-(3-fluorophenyl)ethyl]pyrimidin-4-amine
CID 62342660
3,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117743
2-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrimidin-4-amine
CID 130987200
2-chloro-N-(3-methylbutan-2-yl)pyrimidin-4-amine
CID 62338504
2-chloro-N-[(2R)-3-methylbutan-2-yl]pyrimidin-4-amine
CID 94405665
3-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 113354863
N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117498
N-[1-(4-bromophenyl)ethyl]-2-chloropyrimidin-4-amine
CID 62342465
2,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83118233
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-propan-2-ylpyrazol-3-amine
CID 114251941
3-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methylaniline
CID 83118152

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidin-4-amine (CID 89400370) is 2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidin-4-amine is CC(Nc1ccnc(Cl)n1)c1ccc(F)cn1.
What is the InChIKey of 2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidin-4-amine?
The InChIKey is WEGJDNWRMLCTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4/c1-7(9-3-2-8(13)6-15-9)16-10-4-5-14-11(12)17-10/h2-7H,1H3,(H,14,16,17).
What are the key properties of 2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidin-4-amine?
2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidin-4-amine has a molecular weight of 252.68 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 89400370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).