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

C20H25N5O2 — CID 109300656

IUPACmorpholin-4-yl-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone
SMILESO=C(c1ccnc(Nc2ccc(N3CCCCC3)cc2)n1)N1CCOCC1
InChIInChI=1S/C20H25N5O2/c26-19(25-12-14-27-15-13-25)18-8-9-21-20(23-18)22-16-4-6-17(7-5-16)24-10-2-1-3-11-24/h4-9H,1-3,10-15H2,(H,21,22,23)
InChIKeyAXROWNUBGYKAII-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.68
Rot. Bonds4

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

morpholin-4-yl-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone (PubChem CID 109300656) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is morpholin-4-yl-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone
PubChem CID109300656
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Namemorpholin-4-yl-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone
SMILESO=C(c1ccnc(Nc2ccc(N3CCCCC3)cc2)n1)N1CCOCC1
InChIInChI=1S/C20H25N5O2/c26-19(25-12-14-27-15-13-25)18-8-9-21-20(23-18)22-16-4-6-17(7-5-16)24-10-2-1-3-11-24/h4-9H,1-3,10-15H2,(H,21,22,23)
InChIKeyAXROWNUBGYKAII-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

azepan-1-yl-[2-(4-pyrrolidin-1-ylanilino)pyrimidin-4-yl]methanone
CID 109313350
[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
[2-(4-bromoanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109297774
N-(2-methylpropyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109297037
N-cyclohexyl-2-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109298915
[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300640
[2-(3-bromo-4-methylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300629
azepan-1-yl-[4-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methanone
CID 109218598
1-[3-[[4-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 109300644
[2-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298574
[2-(2-bromoanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300664

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone?
The IUPAC name of morpholin-4-yl-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone (CID 109300656) is morpholin-4-yl-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone?
The canonical SMILES for morpholin-4-yl-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone is O=C(c1ccnc(Nc2ccc(N3CCCCC3)cc2)n1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone?
The InChIKey is AXROWNUBGYKAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c26-19(25-12-14-27-15-13-25)18-8-9-21-20(23-18)22-16-4-6-17(7-5-16)24-10-2-1-3-11-24/h4-9H,1-3,10-15H2,(H,21,22,23).
What are the key properties of morpholin-4-yl-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone?
morpholin-4-yl-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone 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 morpholin-4-yl-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109300656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).