[2-(2-bromoanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone

C15H15BrN4O2 — CID 109300664

IUPAC[2-(2-bromoanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccnc(Nc2ccccc2Br)n1)N1CCOCC1
InChIInChI=1S/C15H15BrN4O2/c16-11-3-1-2-4-12(11)18-15-17-6-5-13(19-15)14(21)20-7-9-22-10-8-20/h1-6H,7-10H2,(H,17,18,19)
InChIKeyZBKJUXZGTVNTAM-UHFFFAOYSA-N
MW363.22 g/mol
LogP2.46
Rot. Bonds3

About [2-(2-bromoanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone

[2-(2-bromoanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 109300664) has the molecular formula C15H15BrN4O2 and a molecular weight of 363.22 g/mol. Its IUPAC name is [2-(2-bromoanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(2-bromoanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
PubChem CID109300664
Molecular FormulaC15H15BrN4O2
Molecular Weight363.22 g/mol
Exact Mass362.04
IUPAC Name[2-(2-bromoanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccnc(Nc2ccccc2Br)n1)N1CCOCC1
InChIInChI=1S/C15H15BrN4O2/c16-11-3-1-2-4-12(11)18-15-17-6-5-13(19-15)14(21)20-7-9-22-10-8-20/h1-6H,7-10H2,(H,17,18,19)
InChIKeyZBKJUXZGTVNTAM-UHFFFAOYSA-N
XLogP2.46
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-bromoanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302335
[2-(3-bromo-4-methylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300629
[2-(2-bromo-4-methylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109297812
morpholin-4-yl-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone
CID 109300656
1-[3-[[4-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 109300644
[2-(2-fluoroanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109309529
pyrrolidin-1-yl-[2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
CID 109297787
[2-[4-(diethylamino)-2-methylanilino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300688
[2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302276
4-[2-(2-chloroanilino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109302912
4-[2-(2-fluoroanilino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109302910
[2-(2-ethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109309526

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromoanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(2-bromoanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone (CID 109300664) is [2-(2-bromoanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(2-bromoanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(2-bromoanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone is O=C(c1ccnc(Nc2ccccc2Br)n1)N1CCOCC1.
What is the InChIKey of [2-(2-bromoanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is ZBKJUXZGTVNTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O2/c16-11-3-1-2-4-12(11)18-15-17-6-5-13(19-15)14(21)20-7-9-22-10-8-20/h1-6H,7-10H2,(H,17,18,19).
What are the key properties of [2-(2-bromoanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone?
[2-(2-bromoanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 363.22 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromoanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109300664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).