4-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)aniline

C15H18N4O — CID 63180269

IUPAC4-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)aniline
SMILESc1cnc(CNc2ccc(N3CCOCC3)cc2)nc1
InChIInChI=1S/C15H18N4O/c1-6-16-15(17-7-1)12-18-13-2-4-14(5-3-13)19-8-10-20-11-9-19/h1-7,18H,8-12H2
InChIKeyQRVMIRMRONULRS-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.93
Rot. Bonds4

About 4-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)aniline

4-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)aniline (PubChem CID 63180269) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)aniline
PubChem CID63180269
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)aniline
SMILESc1cnc(CNc2ccc(N3CCOCC3)cc2)nc1
InChIInChI=1S/C15H18N4O/c1-6-16-15(17-7-1)12-18-13-2-4-14(5-3-13)19-8-10-20-11-9-19/h1-7,18H,8-12H2
InChIKeyQRVMIRMRONULRS-UHFFFAOYSA-N
XLogP1.93
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)aniline 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

N-[(1-methylimidazol-2-yl)methyl]-4-morpholin-4-ylaniline
CID 60685164
4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60685189
N-[[2-(furan-2-yl)pyrimidin-4-yl]methyl]-4-morpholin-4-ylaniline
CID 141322748
N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline
CID 20785895
4-morpholin-4-yl-N-(2-pyridin-4-ylethyl)aniline
CID 63180016
[5-[(4-morpholin-4-ylanilino)methyl]furan-2-yl]methanol
CID 64578214
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-morpholin-4-ylaniline
CID 63172359
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylaniline
CID 43644963
N-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylaniline;hydrochloride
CID 163329675
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylaniline
CID 65439905
N-butyl-4-morpholin-4-ylaniline
CID 28675754
4-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)aniline
CID 112719833

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)aniline?
The IUPAC name of 4-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)aniline (CID 63180269) is 4-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)aniline.
What is the SMILES notation for 4-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)aniline?
The canonical SMILES for 4-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)aniline is c1cnc(CNc2ccc(N3CCOCC3)cc2)nc1.
What is the InChIKey of 4-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)aniline?
The InChIKey is QRVMIRMRONULRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-6-16-15(17-7-1)12-18-13-2-4-14(5-3-13)19-8-10-20-11-9-19/h1-7,18H,8-12H2.
What are the key properties of 4-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)aniline?
4-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)aniline has a molecular weight of 270.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)aniline is sourced from PubChem (CID 63180269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).