2-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-propan-2-yloxyaniline

C19H25N5O2 — CID 130372406

IUPAC2-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-propan-2-yloxyaniline
SMILES[H]/N=C(\c1cc(N2CCO[C@H](C)C2)ncn1)c1cc(OC(C)C)ccc1N
InChIInChI=1S/C19H25N5O2/c1-12(2)26-14-4-5-16(20)15(8-14)19(21)17-9-18(23-11-22-17)24-6-7-25-13(3)10-24/h4-5,8-9,11-13,21H,6-7,10,20H2,1-3H3/b21-19-/t13-/m1/s1
InChIKeyFZDPCOZKEVITKV-IUXHBZJFSA-N
MW355.44 g/mol
LogP2.49
Rot. Bonds5

About 2-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-propan-2-yloxyaniline

2-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-propan-2-yloxyaniline (PubChem CID 130372406) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-propan-2-yloxyaniline.

Molecular Properties

Compound Name2-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-propan-2-yloxyaniline
PubChem CID130372406
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-propan-2-yloxyaniline
SMILES[H]/N=C(\c1cc(N2CCO[C@H](C)C2)ncn1)c1cc(OC(C)C)ccc1N
InChIInChI=1S/C19H25N5O2/c1-12(2)26-14-4-5-16(20)15(8-14)19(21)17-9-18(23-11-22-17)24-6-7-25-13(3)10-24/h4-5,8-9,11-13,21H,6-7,10,20H2,1-3H3/b21-19-/t13-/m1/s1
InChIKeyFZDPCOZKEVITKV-IUXHBZJFSA-N
XLogP2.49
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
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-[(2R)-2-methylmorpholin-4-yl]pyrimidine-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

(3R)-1-[6-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 144694465
4-propan-2-yloxy-2-(6-pyrrolidin-1-ylpyrimidine-4-carboximidoyl)aniline
CID 123143355
[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-(3-propan-2-yloxyphenyl)methanimine
CID 144697206
1-[6-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)pyrimidin-4-yl]piperidin-4-ol
CID 123896610
2-[1-methyl-5-[(2S)-2-methylmorpholin-4-yl]pyrazole-3-carboximidoyl]-4-propan-2-yloxyaniline
CID 144694333
2-[6-(3-methylsulfonylazetidin-1-yl)pyrimidine-4-carboximidoyl]-4-propan-2-yloxyaniline
CID 123922387
2-[6-[(2R)-2-ethynylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-(1-methylcyclopropyl)oxyaniline
CID 130414072
4-[6-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)pyrimidin-4-yl]morpholine-2,2,3,3,5,5,6,6-octol
CID 144694597
4-(1-methylcyclopropyl)oxy-2-(6-morpholin-4-ylpyrimidine-4-carboximidoyl)aniline
CID 123162749
2-[6-[(3S)-4-ethyl-3-methylpiperazin-1-yl]pyrimidine-4-carboximidoyl]-4-methoxyaniline
CID 144694870
2-(6-chloropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline
CID 166765017
2-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidine-4-carboximidoyl]-4-(1-methylcyclopropyl)oxyaniline
CID 130414414

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-propan-2-yloxyaniline?
The IUPAC name of 2-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-propan-2-yloxyaniline (CID 130372406) is 2-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-propan-2-yloxyaniline.
What is the SMILES notation for 2-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-propan-2-yloxyaniline?
The canonical SMILES for 2-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-propan-2-yloxyaniline is [H]/N=C(\c1cc(N2CCO[C@H](C)C2)ncn1)c1cc(OC(C)C)ccc1N.
What is the InChIKey of 2-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-propan-2-yloxyaniline?
The InChIKey is FZDPCOZKEVITKV-IUXHBZJFSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-12(2)26-14-4-5-16(20)15(8-14)19(21)17-9-18(23-11-22-17)24-6-7-25-13(3)10-24/h4-5,8-9,11-13,21H,6-7,10,20H2,1-3H3/b21-19-/t13-/m1/s1.
What are the key properties of 2-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-propan-2-yloxyaniline?
2-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-propan-2-yloxyaniline has a molecular weight of 355.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-propan-2-yloxyaniline is sourced from PubChem (CID 130372406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).