1-(oxan-4-yl)-3-phenyl-1-pyridin-4-yl-3-pyrimidin-2-ylurea

C21H21N5O2 — CID 67616435

IUPAC1-(oxan-4-yl)-3-phenyl-1-pyridin-4-yl-3-pyrimidin-2-ylurea
SMILESO=C(N(c1ccccc1)c1ncccn1)N(c1ccncc1)C1CCOCC1
InChIInChI=1S/C21H21N5O2/c27-21(25(18-7-13-22-14-8-18)19-9-15-28-16-10-19)26(17-5-2-1-3-6-17)20-23-11-4-12-24-20/h1-8,11-14,19H,9-10,15-16H2
InChIKeyLWOJZQMVXMKQQH-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.82
Rot. Bonds4

About 1-(oxan-4-yl)-3-phenyl-1-pyridin-4-yl-3-pyrimidin-2-ylurea

1-(oxan-4-yl)-3-phenyl-1-pyridin-4-yl-3-pyrimidin-2-ylurea (PubChem CID 67616435) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-(oxan-4-yl)-3-phenyl-1-pyridin-4-yl-3-pyrimidin-2-ylurea.

Molecular Properties

Compound Name1-(oxan-4-yl)-3-phenyl-1-pyridin-4-yl-3-pyrimidin-2-ylurea
PubChem CID67616435
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name1-(oxan-4-yl)-3-phenyl-1-pyridin-4-yl-3-pyrimidin-2-ylurea
SMILESO=C(N(c1ccccc1)c1ncccn1)N(c1ccncc1)C1CCOCC1
InChIInChI=1S/C21H21N5O2/c27-21(25(18-7-13-22-14-8-18)19-9-15-28-16-10-19)26(17-5-2-1-3-6-17)20-23-11-4-12-24-20/h1-8,11-14,19H,9-10,15-16H2
InChIKeyLWOJZQMVXMKQQH-UHFFFAOYSA-N
XLogP3.82
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-3-phenyl-1-pyridin-4-yl-3-pyrimidin-2-ylurea?
The IUPAC name of 1-(oxan-4-yl)-3-phenyl-1-pyridin-4-yl-3-pyrimidin-2-ylurea (CID 67616435) is 1-(oxan-4-yl)-3-phenyl-1-pyridin-4-yl-3-pyrimidin-2-ylurea.
What is the SMILES notation for 1-(oxan-4-yl)-3-phenyl-1-pyridin-4-yl-3-pyrimidin-2-ylurea?
The canonical SMILES for 1-(oxan-4-yl)-3-phenyl-1-pyridin-4-yl-3-pyrimidin-2-ylurea is O=C(N(c1ccccc1)c1ncccn1)N(c1ccncc1)C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-3-phenyl-1-pyridin-4-yl-3-pyrimidin-2-ylurea?
The InChIKey is LWOJZQMVXMKQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-21(25(18-7-13-22-14-8-18)19-9-15-28-16-10-19)26(17-5-2-1-3-6-17)20-23-11-4-12-24-20/h1-8,11-14,19H,9-10,15-16H2.
What are the key properties of 1-(oxan-4-yl)-3-phenyl-1-pyridin-4-yl-3-pyrimidin-2-ylurea?
1-(oxan-4-yl)-3-phenyl-1-pyridin-4-yl-3-pyrimidin-2-ylurea has a molecular weight of 375.43 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-3-phenyl-1-pyridin-4-yl-3-pyrimidin-2-ylurea is sourced from PubChem (CID 67616435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).