1-butyl-3-(6-methoxypyrimidin-4-yl)-1-methylurea

C11H18N4O2 — CID 75454038

IUPAC1-butyl-3-(6-methoxypyrimidin-4-yl)-1-methylurea
SMILESCCCCN(C)C(=O)Nc1cc(OC)ncn1
InChIInChI=1S/C11H18N4O2/c1-4-5-6-15(2)11(16)14-9-7-10(17-3)13-8-12-9/h7-8H,4-6H2,1-3H3,(H,12,13,14,16)
InChIKeyINBJEZKXILGGGP-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.75
Rot. Bonds5

About 1-butyl-3-(6-methoxypyrimidin-4-yl)-1-methylurea

1-butyl-3-(6-methoxypyrimidin-4-yl)-1-methylurea (PubChem CID 75454038) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-butyl-3-(6-methoxypyrimidin-4-yl)-1-methylurea.

Molecular Properties

Compound Name1-butyl-3-(6-methoxypyrimidin-4-yl)-1-methylurea
PubChem CID75454038
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-butyl-3-(6-methoxypyrimidin-4-yl)-1-methylurea
SMILESCCCCN(C)C(=O)Nc1cc(OC)ncn1
InChIInChI=1S/C11H18N4O2/c1-4-5-6-15(2)11(16)14-9-7-10(17-3)13-8-12-9/h7-8H,4-6H2,1-3H3,(H,12,13,14,16)
InChIKeyINBJEZKXILGGGP-UHFFFAOYSA-N
XLogP1.75
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-6-methoxypyrimidine
CID 735731
4-Methoxy-6-(piperazin-1-yl)pyrimidine
CID 45789017
4-N-butyl-6-methoxypyrimidine-2,4-diamine
CID 103817396
6-ethoxy-4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine
CID 44577416
1-(Dicyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea
CID 84600483
1-(Cyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea
CID 84600627
1-(2-Cyclopropylethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea
CID 84600681
4-(dimethylamino)-N-ethyl-6-methoxypyrimidine-2-carboxamide
CID 122180009
N-[2-[(4-methoxypyrimidin-2-yl)-methylamino]ethyl]acetamide
CID 136548989
6-(3-methoxypropoxy)-N-propan-2-ylpyrimidin-4-amine
CID 172434840
2,6-Dimethoxy-N,N,N-trimethylpyrimidin-4-aminium chloride
CID 12684329
6-Ethoxypyrimidin-4-amine
CID 45080513

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(6-methoxypyrimidin-4-yl)-1-methylurea?
The IUPAC name of 1-butyl-3-(6-methoxypyrimidin-4-yl)-1-methylurea (CID 75454038) is 1-butyl-3-(6-methoxypyrimidin-4-yl)-1-methylurea.
What is the SMILES notation for 1-butyl-3-(6-methoxypyrimidin-4-yl)-1-methylurea?
The canonical SMILES for 1-butyl-3-(6-methoxypyrimidin-4-yl)-1-methylurea is CCCCN(C)C(=O)Nc1cc(OC)ncn1.
What is the InChIKey of 1-butyl-3-(6-methoxypyrimidin-4-yl)-1-methylurea?
The InChIKey is INBJEZKXILGGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-4-5-6-15(2)11(16)14-9-7-10(17-3)13-8-12-9/h7-8H,4-6H2,1-3H3,(H,12,13,14,16).
What are the key properties of 1-butyl-3-(6-methoxypyrimidin-4-yl)-1-methylurea?
1-butyl-3-(6-methoxypyrimidin-4-yl)-1-methylurea has a molecular weight of 238.29 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(6-methoxypyrimidin-4-yl)-1-methylurea is sourced from PubChem (CID 75454038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).