[2-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone

C16H16Cl2N4O — CID 109298574

IUPAC[2-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccnc(Nc2cc(Cl)cc(Cl)c2)n1)N1CCCCC1
InChIInChI=1S/C16H16Cl2N4O/c17-11-8-12(18)10-13(9-11)20-16-19-5-4-14(21-16)15(23)22-6-2-1-3-7-22/h4-5,8-10H,1-3,6-7H2,(H,19,20,21)
InChIKeyOQBUSQQEADISNE-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.15
Rot. Bonds3

About [2-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone

[2-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 109298574) has the molecular formula C16H16Cl2N4O and a molecular weight of 351.24 g/mol. Its IUPAC name is [2-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
PubChem CID109298574
Molecular FormulaC16H16Cl2N4O
Molecular Weight351.24 g/mol
Exact Mass350.07
IUPAC Name[2-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccnc(Nc2cc(Cl)cc(Cl)c2)n1)N1CCCCC1
InChIInChI=1S/C16H16Cl2N4O/c17-11-8-12(18)10-13(9-11)20-16-19-5-4-14(21-16)15(23)22-6-2-1-3-7-22/h4-5,8-10H,1-3,6-7H2,(H,19,20,21)
InChIKeyOQBUSQQEADISNE-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

azepan-1-yl-[2-(3,5-dichloroanilino)-6-methylpyrimidin-4-yl]methanone
CID 109334510
azepan-1-yl-[2-(4-pyrrolidin-1-ylanilino)pyrimidin-4-yl]methanone
CID 109313350
[2-(3-bromoanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298556
[2-(4-bromoanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109297774
N-[3-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 109297792
methyl 3-[[4-(azepane-1-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109313344
[6-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341792
[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298550
azepan-1-yl-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]methanone
CID 109313354
azepan-1-yl-[2-(2,6-difluoroanilino)pyrimidin-4-yl]methanone
CID 109313388
morpholin-4-yl-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone
CID 109300656
[2-(3-chloroanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109310598

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone (CID 109298574) is [2-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone is O=C(c1ccnc(Nc2cc(Cl)cc(Cl)c2)n1)N1CCCCC1.
What is the InChIKey of [2-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is OQBUSQQEADISNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O/c17-11-8-12(18)10-13(9-11)20-16-19-5-4-14(21-16)15(23)22-6-2-1-3-7-22/h4-5,8-10H,1-3,6-7H2,(H,19,20,21).
What are the key properties of [2-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
[2-(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 [2-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109298574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).