2-(6-morpholin-4-yl-1,4-dihydropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline

C18H25N5O2 — CID 130372045

IUPAC2-(6-morpholin-4-yl-1,4-dihydropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline
SMILES[H]/N=C(/c1cc(OC(C)C)ccc1N)C1C=C(N2CCOCC2)NC=N1
InChIInChI=1S/C18H25N5O2/c1-12(2)25-13-3-4-15(19)14(9-13)18(20)16-10-17(22-11-21-16)23-5-7-24-8-6-23/h3-4,9-12,16,20H,5-8,19H2,1-2H3,(H,21,22)/b20-18-
InChIKeySDXVFXXHJROJIB-ZZEZOPTASA-N
MW343.43 g/mol
LogP1.60
Rot. Bonds5

About 2-(6-morpholin-4-yl-1,4-dihydropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline

2-(6-morpholin-4-yl-1,4-dihydropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline (PubChem CID 130372045) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(6-morpholin-4-yl-1,4-dihydropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline.

Molecular Properties

Compound Name2-(6-morpholin-4-yl-1,4-dihydropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline
PubChem CID130372045
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-(6-morpholin-4-yl-1,4-dihydropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline
SMILES[H]/N=C(/c1cc(OC(C)C)ccc1N)C1C=C(N2CCOCC2)NC=N1
InChIInChI=1S/C18H25N5O2/c1-12(2)25-13-3-4-15(19)14(9-13)18(20)16-10-17(22-11-21-16)23-5-7-24-8-6-23/h3-4,9-12,16,20H,5-8,19H2,1-2H3,(H,21,22)/b20-18-
InChIKeySDXVFXXHJROJIB-ZZEZOPTASA-N
XLogP1.60
TPSA95.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(6-morpholin-4-yl-1,4-dihydropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline 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

2-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-propan-2-yloxyaniline
CID 130372406
2-[1-methyl-5-[(2S)-2-methylmorpholin-4-yl]pyrazole-3-carboximidoyl]-4-propan-2-yloxyaniline
CID 144694333
4-propan-2-yloxy-2-(6-pyrrolidin-1-ylpyrimidine-4-carboximidoyl)aniline
CID 123143355
1-[6-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)pyrimidin-4-yl]piperidin-4-ol
CID 123896610
3-(2-morpholin-4-ylpyridine-4-carboximidoyl)-5-propan-2-yloxypyridin-2-amine
CID 139566238
2-[6-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-1,4-dihydropyrimidine-4-carboximidoyl]-5-fluoro-4-(1-methylcyclopropyl)oxyaniline
CID 130414057
(3R)-1-[6-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 144694465
2-[2-(4-methoxypiperidin-1-yl)pyridine-4-carboximidoyl]-4-propan-2-yloxyaniline
CID 123591282
2-[3-(4-ethylpiperazin-1-yl)-1-methylpyrazole-5-carboximidoyl]-4-propan-2-yloxyaniline;molecular hydrogen
CID 144694407
methane;molecular hydrogen;4-propan-2-yloxy-2-(3-thiomorpholin-4-yl-1H-pyrazole-5-carboximidoyl)aniline;hydrate
CID 144697179
molecular hydrogen;4-propan-2-yloxy-2-(2-thiomorpholin-4-ylpyridine-4-carboximidoyl)aniline
CID 144697556
4-(1-methylcyclopropyl)oxy-2-(6-morpholin-4-ylpyrimidine-4-carboximidoyl)aniline
CID 123162749

Frequently Asked Questions

What is the IUPAC name of 2-(6-morpholin-4-yl-1,4-dihydropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline?
The IUPAC name of 2-(6-morpholin-4-yl-1,4-dihydropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline (CID 130372045) is 2-(6-morpholin-4-yl-1,4-dihydropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline.
What is the SMILES notation for 2-(6-morpholin-4-yl-1,4-dihydropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline?
The canonical SMILES for 2-(6-morpholin-4-yl-1,4-dihydropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline is [H]/N=C(/c1cc(OC(C)C)ccc1N)C1C=C(N2CCOCC2)NC=N1.
What is the InChIKey of 2-(6-morpholin-4-yl-1,4-dihydropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline?
The InChIKey is SDXVFXXHJROJIB-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12(2)25-13-3-4-15(19)14(9-13)18(20)16-10-17(22-11-21-16)23-5-7-24-8-6-23/h3-4,9-12,16,20H,5-8,19H2,1-2H3,(H,21,22)/b20-18-.
What are the key properties of 2-(6-morpholin-4-yl-1,4-dihydropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline?
2-(6-morpholin-4-yl-1,4-dihydropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline has a molecular weight of 343.43 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-morpholin-4-yl-1,4-dihydropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline is sourced from PubChem (CID 130372045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).