1-(1-adamantyl)-3-pyrimidin-4-ylurea

C15H20N4O — CID 71602843

IUPAC1-(1-adamantyl)-3-pyrimidin-4-ylurea
SMILESO=C(Nc1ccncn1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H20N4O/c20-14(18-13-1-2-16-9-17-13)19-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,9-12H,3-8H2,(H2,16,17,18,19,20)
InChIKeyASDPKGVXTPRBSD-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.57
Rot. Bonds2

About 1-(1-adamantyl)-3-pyrimidin-4-ylurea

1-(1-adamantyl)-3-pyrimidin-4-ylurea (PubChem CID 71602843) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-pyrimidin-4-ylurea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-pyrimidin-4-ylurea
PubChem CID71602843
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-(1-adamantyl)-3-pyrimidin-4-ylurea
SMILESO=C(Nc1ccncn1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H20N4O/c20-14(18-13-1-2-16-9-17-13)19-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,9-12H,3-8H2,(H2,16,17,18,19,20)
InChIKeyASDPKGVXTPRBSD-UHFFFAOYSA-N
XLogP2.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-pyrimidin-4-ylurea?
The IUPAC name of 1-(1-adamantyl)-3-pyrimidin-4-ylurea (CID 71602843) is 1-(1-adamantyl)-3-pyrimidin-4-ylurea.
What is the SMILES notation for 1-(1-adamantyl)-3-pyrimidin-4-ylurea?
The canonical SMILES for 1-(1-adamantyl)-3-pyrimidin-4-ylurea is O=C(Nc1ccncn1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-pyrimidin-4-ylurea?
The InChIKey is ASDPKGVXTPRBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c20-14(18-13-1-2-16-9-17-13)19-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,9-12H,3-8H2,(H2,16,17,18,19,20).
What are the key properties of 1-(1-adamantyl)-3-pyrimidin-4-ylurea?
1-(1-adamantyl)-3-pyrimidin-4-ylurea has a molecular weight of 272.35 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-pyrimidin-4-ylurea is sourced from PubChem (CID 71602843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).