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

C15H19N5O3 — CID 71807636

IUPAC1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ncc(NC(=O)Nc2ccccc2OC)c(N(C)C)n1
InChIInChI=1S/C15H19N5O3/c1-20(2)13-11(9-16-15(19-13)23-4)18-14(21)17-10-7-5-6-8-12(10)22-3/h5-9H,1-4H3,(H2,17,18,21)
InChIKeyRFRBVLSIPUHCPM-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.20
Rot. Bonds5

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

1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methoxyphenyl)urea (PubChem CID 71807636) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methoxyphenyl)urea
PubChem CID71807636
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ncc(NC(=O)Nc2ccccc2OC)c(N(C)C)n1
InChIInChI=1S/C15H19N5O3/c1-20(2)13-11(9-16-15(19-13)23-4)18-14(21)17-10-7-5-6-8-12(10)22-3/h5-9H,1-4H3,(H2,17,18,21)
InChIKeyRFRBVLSIPUHCPM-UHFFFAOYSA-N
XLogP2.20
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 71799842
1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2,4-dimethylphenyl)urea
CID 122319329
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-(2-fluorophenyl)acetamide
CID 122319450
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 122319384
4-acetyl-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide
CID 122319529
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-phenylmethoxyacetamide
CID 122319473
(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
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-(3-methoxyphenoxy)acetamide
CID 122319402
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-6-ethoxypyridine-3-carboxamide
CID 122319515
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-oxocyclohexane-1-carboxamide
CID 122319488
1-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 122320139

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methoxyphenyl)urea (CID 71807636) is 1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methoxyphenyl)urea is COc1ncc(NC(=O)Nc2ccccc2OC)c(N(C)C)n1.
What is the InChIKey of 1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methoxyphenyl)urea?
The InChIKey is RFRBVLSIPUHCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-20(2)13-11(9-16-15(19-13)23-4)18-14(21)17-10-7-5-6-8-12(10)22-3/h5-9H,1-4H3,(H2,17,18,21).
What are the key properties of 1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methoxyphenyl)urea?
1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methoxyphenyl)urea has a molecular weight of 317.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 71807636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).