[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl] N-amino-N-phenylcarbamate

C22H23N5O4 — CID 151436161

IUPAC[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl] N-amino-N-phenylcarbamate
SMILESCOc1cnc(-c2ccc(OC(=O)N(N)c3ccccc3)cc2)nc1N1CCOCC1
InChIInChI=1S/C22H23N5O4/c1-29-19-15-24-20(25-21(19)26-11-13-30-14-12-26)16-7-9-18(10-8-16)31-22(28)27(23)17-5-3-2-4-6-17/h2-10,15H,11-14,23H2,1H3
InChIKeyPDNTVNMHCYVBLP-UHFFFAOYSA-N
MW421.46 g/mol
LogP2.87
Rot. Bonds5

About [4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl] N-amino-N-phenylcarbamate

[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl] N-amino-N-phenylcarbamate (PubChem CID 151436161) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is [4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl] N-amino-N-phenylcarbamate.

Molecular Properties

Compound Name[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl] N-amino-N-phenylcarbamate
PubChem CID151436161
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC Name[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl] N-amino-N-phenylcarbamate
SMILESCOc1cnc(-c2ccc(OC(=O)N(N)c3ccccc3)cc2)nc1N1CCOCC1
InChIInChI=1S/C22H23N5O4/c1-29-19-15-24-20(25-21(19)26-11-13-30-14-12-26)16-7-9-18(10-8-16)31-22(28)27(23)17-5-3-2-4-6-17/h2-10,15H,11-14,23H2,1H3
InChIKeyPDNTVNMHCYVBLP-UHFFFAOYSA-N
XLogP2.87
TPSA103.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(5-methoxy-2-phenylpyrimidin-4-yl)morpholine
CID 3329093
4-[5-methoxy-2-[4-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenoxy]phenyl]pyrimidin-4-yl]morpholine
CID 142765179
1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 87343885
N-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-1H-benzimidazol-2-amine
CID 70975381
2-(4-fluorophenyl)-4-morpholin-4-ylpyrimidine-5-carboxylic acid
CID 53214965
4-(5-chloro-2-phenylpyrimidin-4-yl)morpholine
CID 121004493
2-[[4-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzoic acid
CID 154265658
4-(4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-5-carbonitrile
CID 3299494
4-(2-phenyl-5-pyridin-4-ylpyrimidin-4-yl)morpholine
CID 110172397
1-[4-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea
CID 70975031
1-[4-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(4-thiomorpholin-4-ylphenyl)urea
CID 67297298
(2-methoxyphenyl)-(4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 42787779

Frequently Asked Questions

What is the IUPAC name of [4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl] N-amino-N-phenylcarbamate?
The IUPAC name of [4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl] N-amino-N-phenylcarbamate (CID 151436161) is [4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl] N-amino-N-phenylcarbamate.
What is the SMILES notation for [4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl] N-amino-N-phenylcarbamate?
The canonical SMILES for [4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl] N-amino-N-phenylcarbamate is COc1cnc(-c2ccc(OC(=O)N(N)c3ccccc3)cc2)nc1N1CCOCC1.
What is the InChIKey of [4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl] N-amino-N-phenylcarbamate?
The InChIKey is PDNTVNMHCYVBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-29-19-15-24-20(25-21(19)26-11-13-30-14-12-26)16-7-9-18(10-8-16)31-22(28)27(23)17-5-3-2-4-6-17/h2-10,15H,11-14,23H2,1H3.
What are the key properties of [4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl] N-amino-N-phenylcarbamate?
[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl] N-amino-N-phenylcarbamate has a molecular weight of 421.46 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl] N-amino-N-phenylcarbamate is sourced from PubChem (CID 151436161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).