2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine

C9H12ClFN4 — CID 59210379

IUPAC2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NC1CCNCC1
InChIInChI=1S/C9H12ClFN4/c10-9-13-5-7(11)8(15-9)14-6-1-3-12-4-2-6/h5-6,12H,1-4H2,(H,13,14,15)
InChIKeyMMCJKMLVJBAKAA-UHFFFAOYSA-N
MW230.67 g/mol
LogP1.43
Rot. Bonds2

About 2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine

2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine (PubChem CID 59210379) has the molecular formula C9H12ClFN4 and a molecular weight of 230.67 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine
PubChem CID59210379
Molecular FormulaC9H12ClFN4
Molecular Weight230.67 g/mol
Exact Mass230.07
IUPAC Name2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NC1CCNCC1
InChIInChI=1S/C9H12ClFN4/c10-9-13-5-7(11)8(15-9)14-6-1-3-12-4-2-6/h5-6,12H,1-4H2,(H,13,14,15)
InChIKeyMMCJKMLVJBAKAA-UHFFFAOYSA-N
XLogP1.43
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
CID 3573094
4-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,4-diamine
CID 89143426
2-chloro-N-(1,1-dioxothian-4-yl)-5-fluoropyrimidin-4-amine
CID 79080718
2-chloro-5-N-methyl-4-N-piperidin-4-ylpyrimidine-4,5-diamine
CID 146275528
2-chloro-5-methoxy-N-piperidin-4-ylpyrimidin-4-amine;dihydrochloride
CID 86618550
1-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,3-diamine
CID 88544926
2-chloro-5-fluoro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
CID 79081840
1-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,3-diamine;hydrochloride
CID 175069422
2-chloro-5-fluoro-4-piperidin-4-ylpyrimidine
CID 170985227
N-(2,5-dichloropyrimidin-4-yl)-3-azaspiro[5.5]undecan-9-amine
CID 126665328
2-chloro-N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-4-amine
CID 130702728
2-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,2-diamine
CID 88589836

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine (CID 59210379) is 2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine is Fc1cnc(Cl)nc1NC1CCNCC1.
What is the InChIKey of 2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine?
The InChIKey is MMCJKMLVJBAKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClFN4/c10-9-13-5-7(11)8(15-9)14-6-1-3-12-4-2-6/h5-6,12H,1-4H2,(H,13,14,15).
What are the key properties of 2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine?
2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine has a molecular weight of 230.67 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 59210379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).