1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,4,5-trimethoxyphenyl)urea

C20H28N6O5 — CID 122320623

IUPAC1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)cc(OC)c1OC
InChIInChI=1S/C20H28N6O5/c1-25(2)18-14(12-21-19(24-18)26-6-8-31-9-7-26)23-20(27)22-13-10-15(28-3)17(30-5)16(11-13)29-4/h10-12H,6-9H2,1-5H3,(H2,22,23,27)
InChIKeyMMZGIBFFMUFDSW-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.05
Rot. Bonds7

About 1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,4,5-trimethoxyphenyl)urea

1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 122320623) has the molecular formula C20H28N6O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID122320623
Molecular FormulaC20H28N6O5
Molecular Weight432.48 g/mol
Exact Mass432.21
IUPAC Name1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)cc(OC)c1OC
InChIInChI=1S/C20H28N6O5/c1-25(2)18-14(12-21-19(24-18)26-6-8-31-9-7-26)23-20(27)22-13-10-15(28-3)17(30-5)16(11-13)29-4/h10-12H,6-9H2,1-5H3,(H2,22,23,27)
InChIKeyMMZGIBFFMUFDSW-UHFFFAOYSA-N
XLogP2.05
TPSA110.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,5-dimethylphenyl)urea
CID 91966490
1-(3,4-dimethoxyphenyl)-3-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]urea
CID 122320358
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-2-(2-methoxyphenoxy)acetamide
CID 122320438
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]propanamide
CID 121137362
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-methoxybenzamide
CID 91969406
1-(6-morpholin-4-ylpyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)urea
CID 90544408
2-cyclopropyl-N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]acetamide
CID 122320498
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-4-methylbenzamide
CID 91969402
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]pyrazine-2-carboxamide
CID 121137369
3-chloro-N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]benzamide
CID 91969413
1-(2-chlorophenyl)-3-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]urea
CID 71807700
5-morpholin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazine-2-carboxamide
CID 109276725

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,4,5-trimethoxyphenyl)urea (CID 122320623) is 1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,4,5-trimethoxyphenyl)urea is COc1cc(NC(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)cc(OC)c1OC.
What is the InChIKey of 1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is MMZGIBFFMUFDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O5/c1-25(2)18-14(12-21-19(24-18)26-6-8-31-9-7-26)23-20(27)22-13-10-15(28-3)17(30-5)16(11-13)29-4/h10-12H,6-9H2,1-5H3,(H2,22,23,27).
What are the key properties of 1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,4,5-trimethoxyphenyl)urea?
1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 432.48 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 122320623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).