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

C19H26N6O2 — CID 91966490

IUPAC1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,5-dimethylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)c1
InChIInChI=1S/C19H26N6O2/c1-13-9-14(2)11-15(10-13)21-19(26)22-16-12-20-18(23-17(16)24(3)4)25-5-7-27-8-6-25/h9-12H,5-8H2,1-4H3,(H2,21,22,26)
InChIKeyAYFPRUKJPJVCFH-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.64
Rot. Bonds4

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

1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,5-dimethylphenyl)urea (PubChem CID 91966490) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,5-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,5-dimethylphenyl)urea
PubChem CID91966490
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,5-dimethylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)c1
InChIInChI=1S/C19H26N6O2/c1-13-9-14(2)11-15(10-13)21-19(26)22-16-12-20-18(23-17(16)24(3)4)25-5-7-27-8-6-25/h9-12H,5-8H2,1-4H3,(H2,21,22,26)
InChIKeyAYFPRUKJPJVCFH-UHFFFAOYSA-N
XLogP2.64
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122320623
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-4-methylbenzamide
CID 91969402
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]propanamide
CID 121137362
2-cyclopropyl-N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]acetamide
CID 122320498
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
1-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-(2-methylphenyl)urea
CID 91966423
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-methoxybenzamide
CID 91969406
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]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 122320418
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-2-(2-methoxyphenoxy)acetamide
CID 122320438

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,5-dimethylphenyl)urea?
The IUPAC name of 1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,5-dimethylphenyl)urea (CID 91966490) is 1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,5-dimethylphenyl)urea.
What is the SMILES notation for 1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,5-dimethylphenyl)urea?
The canonical SMILES for 1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,5-dimethylphenyl)urea is Cc1cc(C)cc(NC(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)c1.
What is the InChIKey of 1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,5-dimethylphenyl)urea?
The InChIKey is AYFPRUKJPJVCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-13-9-14(2)11-15(10-13)21-19(26)22-16-12-20-18(23-17(16)24(3)4)25-5-7-27-8-6-25/h9-12H,5-8H2,1-4H3,(H2,21,22,26).
What are the key properties of 1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,5-dimethylphenyl)urea?
1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,5-dimethylphenyl)urea has a molecular weight of 370.46 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,5-dimethylphenyl)urea is sourced from PubChem (CID 91966490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).