1-(3-methyloxolan-3-yl)-3-pyrimidin-4-ylurea

C10H14N4O2 — CID 136536909

IUPAC1-(3-methyloxolan-3-yl)-3-pyrimidin-4-ylurea
SMILESCC1(NC(=O)Nc2ccncn2)CCOC1
InChIInChI=1S/C10H14N4O2/c1-10(3-5-16-6-10)14-9(15)13-8-2-4-11-7-12-8/h2,4,7H,3,5-6H2,1H3,(H2,11,12,13,14,15)
InChIKeyPVCKDZBVHJEULV-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.78
Rot. Bonds2

About 1-(3-methyloxolan-3-yl)-3-pyrimidin-4-ylurea

1-(3-methyloxolan-3-yl)-3-pyrimidin-4-ylurea (PubChem CID 136536909) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-(3-methyloxolan-3-yl)-3-pyrimidin-4-ylurea.

Molecular Properties

Compound Name1-(3-methyloxolan-3-yl)-3-pyrimidin-4-ylurea
PubChem CID136536909
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1-(3-methyloxolan-3-yl)-3-pyrimidin-4-ylurea
SMILESCC1(NC(=O)Nc2ccncn2)CCOC1
InChIInChI=1S/C10H14N4O2/c1-10(3-5-16-6-10)14-9(15)13-8-2-4-11-7-12-8/h2,4,7H,3,5-6H2,1H3,(H2,11,12,13,14,15)
InChIKeyPVCKDZBVHJEULV-UHFFFAOYSA-N
XLogP0.78
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyloxolan-3-yl)-3-pyrimidin-4-ylurea?
The IUPAC name of 1-(3-methyloxolan-3-yl)-3-pyrimidin-4-ylurea (CID 136536909) is 1-(3-methyloxolan-3-yl)-3-pyrimidin-4-ylurea.
What is the SMILES notation for 1-(3-methyloxolan-3-yl)-3-pyrimidin-4-ylurea?
The canonical SMILES for 1-(3-methyloxolan-3-yl)-3-pyrimidin-4-ylurea is CC1(NC(=O)Nc2ccncn2)CCOC1.
What is the InChIKey of 1-(3-methyloxolan-3-yl)-3-pyrimidin-4-ylurea?
The InChIKey is PVCKDZBVHJEULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-10(3-5-16-6-10)14-9(15)13-8-2-4-11-7-12-8/h2,4,7H,3,5-6H2,1H3,(H2,11,12,13,14,15).
What are the key properties of 1-(3-methyloxolan-3-yl)-3-pyrimidin-4-ylurea?
1-(3-methyloxolan-3-yl)-3-pyrimidin-4-ylurea has a molecular weight of 222.25 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyloxolan-3-yl)-3-pyrimidin-4-ylurea is sourced from PubChem (CID 136536909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).