propan-2-yl 2-[[6-morpholin-4-yl-2-[(2-oxo-2-propan-2-yloxyacetyl)amino]pyrimidin-4-yl]amino]-2-oxoacetate

C18H25N5O7 — CID 14097514

IUPACpropan-2-yl 2-[[6-morpholin-4-yl-2-[(2-oxo-2-propan-2-yloxyacetyl)amino]pyrimidin-4-yl]amino]-2-oxoacetate
SMILESCC(C)OC(=O)C(=O)Nc1cc(N2CCOCC2)nc(NC(=O)C(=O)OC(C)C)n1
InChIInChI=1S/C18H25N5O7/c1-10(2)29-16(26)14(24)19-12-9-13(23-5-7-28-8-6-23)21-18(20-12)22-15(25)17(27)30-11(3)4/h9-11H,5-8H2,1-4H3,(H2,19,20,21,22,24,25)
InChIKeyJVSJTLFCCVEIIW-UHFFFAOYSA-N
MW423.43 g/mol
LogP0.09
Rot. Bonds5

About propan-2-yl 2-[[6-morpholin-4-yl-2-[(2-oxo-2-propan-2-yloxyacetyl)amino]pyrimidin-4-yl]amino]-2-oxoacetate

propan-2-yl 2-[[6-morpholin-4-yl-2-[(2-oxo-2-propan-2-yloxyacetyl)amino]pyrimidin-4-yl]amino]-2-oxoacetate (PubChem CID 14097514) has the molecular formula C18H25N5O7 and a molecular weight of 423.43 g/mol. Its IUPAC name is propan-2-yl 2-[[6-morpholin-4-yl-2-[(2-oxo-2-propan-2-yloxyacetyl)amino]pyrimidin-4-yl]amino]-2-oxoacetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[6-morpholin-4-yl-2-[(2-oxo-2-propan-2-yloxyacetyl)amino]pyrimidin-4-yl]amino]-2-oxoacetate
PubChem CID14097514
Molecular FormulaC18H25N5O7
Molecular Weight423.43 g/mol
Exact Mass423.18
IUPAC Namepropan-2-yl 2-[[6-morpholin-4-yl-2-[(2-oxo-2-propan-2-yloxyacetyl)amino]pyrimidin-4-yl]amino]-2-oxoacetate
SMILESCC(C)OC(=O)C(=O)Nc1cc(N2CCOCC2)nc(NC(=O)C(=O)OC(C)C)n1
InChIInChI=1S/C18H25N5O7/c1-10(2)29-16(26)14(24)19-12-9-13(23-5-7-28-8-6-23)21-18(20-12)22-15(25)17(27)30-11(3)4/h9-11H,5-8H2,1-4H3,(H2,19,20,21,22,24,25)
InChIKeyJVSJTLFCCVEIIW-UHFFFAOYSA-N
XLogP0.09
TPSA149.05 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze propan-2-yl 2-[[6-morpholin-4-yl-2-[(2-oxo-2-propan-2-yloxyacetyl)amino]pyrimidin-4-yl]amino]-2-oxoacetate with MolForge

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Related Compounds

methyl 2-[[2-[(2-methoxy-2-oxoacetyl)amino]-6-piperidin-1-ylpyrimidin-4-yl]amino]-2-oxoacetate
CID 14097512
2-methyl-6-morpholin-4-yl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360582
N-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-2,2-dimethylpropanamide
CID 91465686
1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-3-ethylthiourea
CID 100774008
2-methyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]propanamide
CID 121075210
methyl N-[4-(3,6-dihydro-2H-pyridin-1-yl)-6-(methoxycarbonylamino)pyrimidin-2-yl]carbamate
CID 12824310
2-methyl-N-(2-methylpropyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112868035
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxypropanamide
CID 122297268
1-tert-butyl-3-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)thiourea
CID 100776557
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 70702870
1-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-3-(2-methylpropyl)thiourea
CID 100775794
N-(4-ethoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365450

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[6-morpholin-4-yl-2-[(2-oxo-2-propan-2-yloxyacetyl)amino]pyrimidin-4-yl]amino]-2-oxoacetate?
The IUPAC name of propan-2-yl 2-[[6-morpholin-4-yl-2-[(2-oxo-2-propan-2-yloxyacetyl)amino]pyrimidin-4-yl]amino]-2-oxoacetate (CID 14097514) is propan-2-yl 2-[[6-morpholin-4-yl-2-[(2-oxo-2-propan-2-yloxyacetyl)amino]pyrimidin-4-yl]amino]-2-oxoacetate.
What is the SMILES notation for propan-2-yl 2-[[6-morpholin-4-yl-2-[(2-oxo-2-propan-2-yloxyacetyl)amino]pyrimidin-4-yl]amino]-2-oxoacetate?
The canonical SMILES for propan-2-yl 2-[[6-morpholin-4-yl-2-[(2-oxo-2-propan-2-yloxyacetyl)amino]pyrimidin-4-yl]amino]-2-oxoacetate is CC(C)OC(=O)C(=O)Nc1cc(N2CCOCC2)nc(NC(=O)C(=O)OC(C)C)n1.
What is the InChIKey of propan-2-yl 2-[[6-morpholin-4-yl-2-[(2-oxo-2-propan-2-yloxyacetyl)amino]pyrimidin-4-yl]amino]-2-oxoacetate?
The InChIKey is JVSJTLFCCVEIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O7/c1-10(2)29-16(26)14(24)19-12-9-13(23-5-7-28-8-6-23)21-18(20-12)22-15(25)17(27)30-11(3)4/h9-11H,5-8H2,1-4H3,(H2,19,20,21,22,24,25).
What are the key properties of propan-2-yl 2-[[6-morpholin-4-yl-2-[(2-oxo-2-propan-2-yloxyacetyl)amino]pyrimidin-4-yl]amino]-2-oxoacetate?
propan-2-yl 2-[[6-morpholin-4-yl-2-[(2-oxo-2-propan-2-yloxyacetyl)amino]pyrimidin-4-yl]amino]-2-oxoacetate has a molecular weight of 423.43 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[6-morpholin-4-yl-2-[(2-oxo-2-propan-2-yloxyacetyl)amino]pyrimidin-4-yl]amino]-2-oxoacetate is sourced from PubChem (CID 14097514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).