1-(2-cyclopropylethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea

C12H18N4O2 — CID 84600681

IUPAC1-(2-cyclopropylethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea
SMILESCOc1cc(NC(=O)N(C)CCC2CC2)ncn1
InChIInChI=1S/C12H18N4O2/c1-16(6-5-9-3-4-9)12(17)15-10-7-11(18-2)14-8-13-10/h7-9H,3-6H2,1-2H3,(H,13,14,15,17)
InChIKeyRFFMCHFWCDDOGY-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.75
Rot. Bonds5

About 1-(2-cyclopropylethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea

1-(2-cyclopropylethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea (PubChem CID 84600681) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea
PubChem CID84600681
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-(2-cyclopropylethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea
SMILESCOc1cc(NC(=O)N(C)CCC2CC2)ncn1
InChIInChI=1S/C12H18N4O2/c1-16(6-5-9-3-4-9)12(17)15-10-7-11(18-2)14-8-13-10/h7-9H,3-6H2,1-2H3,(H,13,14,15,17)
InChIKeyRFFMCHFWCDDOGY-UHFFFAOYSA-N
XLogP1.75
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea?
The IUPAC name of 1-(2-cyclopropylethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea (CID 84600681) is 1-(2-cyclopropylethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea.
What is the SMILES notation for 1-(2-cyclopropylethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea?
The canonical SMILES for 1-(2-cyclopropylethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea is COc1cc(NC(=O)N(C)CCC2CC2)ncn1.
What is the InChIKey of 1-(2-cyclopropylethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea?
The InChIKey is RFFMCHFWCDDOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-16(6-5-9-3-4-9)12(17)15-10-7-11(18-2)14-8-13-10/h7-9H,3-6H2,1-2H3,(H,13,14,15,17).
What are the key properties of 1-(2-cyclopropylethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea?
1-(2-cyclopropylethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea has a molecular weight of 250.30 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-(2-cyclopropylethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea is sourced from PubChem (CID 84600681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).