6-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine

C15H17ClFN5 — CID 67695128

IUPAC6-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
SMILESNC1CCN(c2cc(Nc3ccc(F)c(Cl)c3)ncn2)CC1
InChIInChI=1S/C15H17ClFN5/c16-12-7-11(1-2-13(12)17)21-14-8-15(20-9-19-14)22-5-3-10(18)4-6-22/h1-2,7-10H,3-6,18H2,(H,19,20,21)
InChIKeyGZFHSGMYQSXSRX-UHFFFAOYSA-N
MW321.79 g/mol
LogP2.94
Rot. Bonds3

About 6-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine

6-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine (PubChem CID 67695128) has the molecular formula C15H17ClFN5 and a molecular weight of 321.79 g/mol. Its IUPAC name is 6-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
PubChem CID67695128
Molecular FormulaC15H17ClFN5
Molecular Weight321.79 g/mol
Exact Mass321.12
IUPAC Name6-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
SMILESNC1CCN(c2cc(Nc3ccc(F)c(Cl)c3)ncn2)CC1
InChIInChI=1S/C15H17ClFN5/c16-12-7-11(1-2-13(12)17)21-14-8-15(20-9-19-14)22-5-3-10(18)4-6-22/h1-2,7-10H,3-6,18H2,(H,19,20,21)
InChIKeyGZFHSGMYQSXSRX-UHFFFAOYSA-N
XLogP2.94
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856502
1-(3-chloro-4-fluorophenyl)-3-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]urea
CID 90546264
N-(3-chloro-4-fluorophenyl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112864331
6-N-(3-chloro-4-fluorophenyl)-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854795
N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282279
N-(4-chloro-3-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282462
N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862304
1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine
CID 114697676
N-(3-chloro-4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968425
N-(3-chloro-4-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112864416
N-(3-chloro-4-fluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868898
6-N-(3-chloro-4-fluorophenyl)-4-N-[4-(dimethylamino)cyclohexyl]pyrimidine-4,6-diamine
CID 174482983

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine?
The IUPAC name of 6-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine (CID 67695128) is 6-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 6-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine is NC1CCN(c2cc(Nc3ccc(F)c(Cl)c3)ncn2)CC1.
What is the InChIKey of 6-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine?
The InChIKey is GZFHSGMYQSXSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN5/c16-12-7-11(1-2-13(12)17)21-14-8-15(20-9-19-14)22-5-3-10(18)4-6-22/h1-2,7-10H,3-6,18H2,(H,19,20,21).
What are the key properties of 6-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine?
6-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine has a molecular weight of 321.79 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 67695128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).