[6-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone

C16H16Cl2N4O — CID 109341792

IUPAC[6-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(Nc2cc(Cl)cc(Cl)c2)ncn1)N1CCCCC1
InChIInChI=1S/C16H16Cl2N4O/c17-11-6-12(18)8-13(7-11)21-15-9-14(19-10-20-15)16(23)22-4-2-1-3-5-22/h6-10H,1-5H2,(H,19,20,21)
InChIKeyYWCPIBQEPNJEEG-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.15
Rot. Bonds3

About [6-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone

[6-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 109341792) has the molecular formula C16H16Cl2N4O and a molecular weight of 351.24 g/mol. Its IUPAC name is [6-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
PubChem CID109341792
Molecular FormulaC16H16Cl2N4O
Molecular Weight351.24 g/mol
Exact Mass350.07
IUPAC Name[6-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(Nc2cc(Cl)cc(Cl)c2)ncn1)N1CCCCC1
InChIInChI=1S/C16H16Cl2N4O/c17-11-6-12(18)8-13(7-11)21-15-9-14(19-10-20-15)16(23)22-4-2-1-3-5-22/h6-10H,1-5H2,(H,19,20,21)
InChIKeyYWCPIBQEPNJEEG-UHFFFAOYSA-N
XLogP4.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(3-chloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341728
azepan-1-yl-[6-(3,4-difluoroanilino)pyrimidin-4-yl]methanone
CID 109355695
[6-(3-bromoanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341775
N-[3-[[6-(azepane-1-carbonyl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 109355648
[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341750
azepan-1-yl-[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]methanone
CID 109348696
[2-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298574
[6-(cyclopentylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341196
[6-(2,4-dimethylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341708
azepan-1-yl-[6-(2-bromoanilino)pyrimidin-4-yl]methanone
CID 109355664
[6-(4-propan-2-yloxyanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341134
[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341697

Frequently Asked Questions

What is the IUPAC name of [6-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone (CID 109341792) is [6-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone is O=C(c1cc(Nc2cc(Cl)cc(Cl)c2)ncn1)N1CCCCC1.
What is the InChIKey of [6-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is YWCPIBQEPNJEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O/c17-11-6-12(18)8-13(7-11)21-15-9-14(19-10-20-15)16(23)22-4-2-1-3-5-22/h6-10H,1-5H2,(H,19,20,21).
What are the key properties of [6-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
[6-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 351.24 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109341792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).