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

C11H16N4O2 — CID 84600627

IUPAC1-(cyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea
SMILESCOc1cc(NC(=O)N(C)CC2CC2)ncn1
InChIInChI=1S/C11H16N4O2/c1-15(6-8-3-4-8)11(16)14-9-5-10(17-2)13-7-12-9/h5,7-8H,3-4,6H2,1-2H3,(H,12,13,14,16)
InChIKeyMXHIUKTUCLQKOZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.36
Rot. Bonds4

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

1-(cyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea (PubChem CID 84600627) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea
PubChem CID84600627
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-(cyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea
SMILESCOc1cc(NC(=O)N(C)CC2CC2)ncn1
InChIInChI=1S/C11H16N4O2/c1-15(6-8-3-4-8)11(16)14-9-5-10(17-2)13-7-12-9/h5,7-8H,3-4,6H2,1-2H3,(H,12,13,14,16)
InChIKeyMXHIUKTUCLQKOZ-UHFFFAOYSA-N
XLogP1.36
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea?
The IUPAC name of 1-(cyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea (CID 84600627) is 1-(cyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea is COc1cc(NC(=O)N(C)CC2CC2)ncn1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea?
The InChIKey is MXHIUKTUCLQKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-15(6-8-3-4-8)11(16)14-9-5-10(17-2)13-7-12-9/h5,7-8H,3-4,6H2,1-2H3,(H,12,13,14,16).
What are the key properties of 1-(cyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea?
1-(cyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea has a molecular weight of 236.27 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea is sourced from PubChem (CID 84600627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).