[6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone

C20H25N5O2 — CID 109341768

IUPAC[6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(Nc2ccccc2N2CCOCC2)ncn1)N1CCCCC1
InChIInChI=1S/C20H25N5O2/c26-20(25-8-4-1-5-9-25)17-14-19(22-15-21-17)23-16-6-2-3-7-18(16)24-10-12-27-13-11-24/h2-3,6-7,14-15H,1,4-5,8-13H2,(H,21,22,23)
InChIKeyMHSNEKJBUOYUNL-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.68
Rot. Bonds4

About [6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone

[6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 109341768) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is [6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
PubChem CID109341768
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name[6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(Nc2ccccc2N2CCOCC2)ncn1)N1CCCCC1
InChIInChI=1S/C20H25N5O2/c26-20(25-8-4-1-5-9-25)17-14-19(22-15-21-17)23-16-6-2-3-7-18(16)24-10-12-27-13-11-24/h2-3,6-7,14-15H,1,4-5,8-13H2,(H,21,22,23)
InChIKeyMHSNEKJBUOYUNL-UHFFFAOYSA-N
XLogP2.68
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(2-morpholin-4-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274408
6-(azepan-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 112864664
azepan-1-yl-[6-(2-bromoanilino)pyrimidin-4-yl]methanone
CID 109355664
[2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365637
methyl 2-[[6-(morpholine-4-carbonyl)pyrimidin-4-yl]amino]benzoate
CID 109343652
4-N-(2-morpholin-4-ylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112864782
6-N-(2-morpholin-4-ylphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
CID 112865565
azepan-1-yl-(6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109343493
4-[2-(2-morpholin-4-ylanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 109168896
morpholin-4-yl-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]methanone
CID 109153485
[6-(2,4-dimethylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341708
N-cyclohexyl-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide
CID 109364061

Frequently Asked Questions

What is the IUPAC name of [6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone (CID 109341768) is [6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone is O=C(c1cc(Nc2ccccc2N2CCOCC2)ncn1)N1CCCCC1.
What is the InChIKey of [6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is MHSNEKJBUOYUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c26-20(25-8-4-1-5-9-25)17-14-19(22-15-21-17)23-16-6-2-3-7-18(16)24-10-12-27-13-11-24/h2-3,6-7,14-15H,1,4-5,8-13H2,(H,21,22,23).
What are the key properties of [6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
[6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 367.45 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109341768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).