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

C16H21N5O2 — CID 122319329

IUPAC1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2,4-dimethylphenyl)urea
SMILESCOc1ncc(NC(=O)Nc2ccc(C)cc2C)c(N(C)C)n1
InChIInChI=1S/C16H21N5O2/c1-10-6-7-12(11(2)8-10)18-15(22)19-13-9-17-16(23-5)20-14(13)21(3)4/h6-9H,1-5H3,(H2,18,19,22)
InChIKeyFQIKAWFVLVCGLR-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.81
Rot. Bonds4

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

1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2,4-dimethylphenyl)urea (PubChem CID 122319329) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2,4-dimethylphenyl)urea
PubChem CID122319329
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2,4-dimethylphenyl)urea
SMILESCOc1ncc(NC(=O)Nc2ccc(C)cc2C)c(N(C)C)n1
InChIInChI=1S/C16H21N5O2/c1-10-6-7-12(11(2)8-10)18-15(22)19-13-9-17-16(23-5)20-14(13)21(3)4/h6-9H,1-5H3,(H2,18,19,22)
InChIKeyFQIKAWFVLVCGLR-UHFFFAOYSA-N
XLogP2.81
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2,4-dimethylphenyl)urea 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

1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methoxyphenyl)urea
CID 71807636
4-acetyl-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide
CID 122319529
(E)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methylphenyl)prop-2-enamide
CID 122319522
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2,4-difluorobenzamide
CID 122319312
4-cyano-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide
CID 122319436
2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide
CID 122319306
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-phenylmethoxyacetamide
CID 122319473
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-oxocyclohexane-1-carboxamide
CID 122319488
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 122319384
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2,5-dimethylbenzamide
CID 91969285
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 122319426
1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)urea
CID 6469067

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2,4-dimethylphenyl)urea?
The IUPAC name of 1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2,4-dimethylphenyl)urea (CID 122319329) is 1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2,4-dimethylphenyl)urea.
What is the SMILES notation for 1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2,4-dimethylphenyl)urea?
The canonical SMILES for 1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2,4-dimethylphenyl)urea is COc1ncc(NC(=O)Nc2ccc(C)cc2C)c(N(C)C)n1.
What is the InChIKey of 1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2,4-dimethylphenyl)urea?
The InChIKey is FQIKAWFVLVCGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-10-6-7-12(11(2)8-10)18-15(22)19-13-9-17-16(23-5)20-14(13)21(3)4/h6-9H,1-5H3,(H2,18,19,22).
What are the key properties of 1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2,4-dimethylphenyl)urea?
1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2,4-dimethylphenyl)urea has a molecular weight of 315.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2,4-dimethylphenyl)urea is sourced from PubChem (CID 122319329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).