1-(2-methoxy-3-pyridinyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea

C16H20N6O2 — CID 51085055

IUPAC1-(2-methoxy-3-pyridinyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
SMILESCOc1ncccc1NC(=O)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C16H20N6O2/c1-24-14-13(6-2-7-17-14)21-16(23)20-12-5-3-10-22(11-12)15-18-8-4-9-19-15/h2,4,6-9,12H,3,5,10-11H2,1H3,(H2,20,21,23)
InChIKeyQXBDJOWEQUMTGX-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.67
Rot. Bonds4

About 1-(2-methoxy-3-pyridinyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea

1-(2-methoxy-3-pyridinyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea (PubChem CID 51085055) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-(2-methoxy-3-pyridinyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea.

Molecular Properties

Compound Name1-(2-methoxy-3-pyridinyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
PubChem CID51085055
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name1-(2-methoxy-3-pyridinyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
SMILESCOc1ncccc1NC(=O)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C16H20N6O2/c1-24-14-13(6-2-7-17-14)21-16(23)20-12-5-3-10-22(11-12)15-18-8-4-9-19-15/h2,4,6-9,12H,3,5,10-11H2,1H3,(H2,20,21,23)
InChIKeyQXBDJOWEQUMTGX-UHFFFAOYSA-N
XLogP1.67
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-pyridinyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea?
The IUPAC name of 1-(2-methoxy-3-pyridinyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea (CID 51085055) is 1-(2-methoxy-3-pyridinyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea.
What is the SMILES notation for 1-(2-methoxy-3-pyridinyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea?
The canonical SMILES for 1-(2-methoxy-3-pyridinyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea is COc1ncccc1NC(=O)NC1CCCN(c2ncccn2)C1.
What is the InChIKey of 1-(2-methoxy-3-pyridinyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea?
The InChIKey is QXBDJOWEQUMTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-24-14-13(6-2-7-17-14)21-16(23)20-12-5-3-10-22(11-12)15-18-8-4-9-19-15/h2,4,6-9,12H,3,5,10-11H2,1H3,(H2,20,21,23).
What are the key properties of 1-(2-methoxy-3-pyridinyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea?
1-(2-methoxy-3-pyridinyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea has a molecular weight of 328.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-pyridinyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea is sourced from PubChem (CID 51085055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).