1,3-di(propan-2-yl)-1-quinazolin-4-ylurea

C15H20N4O — CID 122214994

IUPAC1,3-di(propan-2-yl)-1-quinazolin-4-ylurea
SMILESCC(C)NC(=O)N(c1ncnc2ccccc12)C(C)C
InChIInChI=1S/C15H20N4O/c1-10(2)18-15(20)19(11(3)4)14-12-7-5-6-8-13(12)16-9-17-14/h5-11H,1-4H3,(H,18,20)
InChIKeyQDLLILDRHUSZJK-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.96
Rot. Bonds3

About 1,3-di(propan-2-yl)-1-quinazolin-4-ylurea

1,3-di(propan-2-yl)-1-quinazolin-4-ylurea (PubChem CID 122214994) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)-1-quinazolin-4-ylurea.

Molecular Properties

Compound Name1,3-di(propan-2-yl)-1-quinazolin-4-ylurea
PubChem CID122214994
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1,3-di(propan-2-yl)-1-quinazolin-4-ylurea
SMILESCC(C)NC(=O)N(c1ncnc2ccccc12)C(C)C
InChIInChI=1S/C15H20N4O/c1-10(2)18-15(20)19(11(3)4)14-12-7-5-6-8-13(12)16-9-17-14/h5-11H,1-4H3,(H,18,20)
InChIKeyQDLLILDRHUSZJK-UHFFFAOYSA-N
XLogP2.96
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[propan-2-yl(quinazolin-4-yl)amino]acetate
CID 62006483
3-[propan-2-yl(quinazolin-4-yl)amino]propanoic acid
CID 60895280
1-(3-phenylisoquinolin-1-yl)-1,3-di(propan-2-yl)urea
CID 50906925
N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride
CID 18590526
N,N-dimethylquinazolin-4-amine;hydrochloride
CID 174283261
1,3-diphenyl-1-quinazolin-4-ylurea
CID 122214993
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-quinazolin-4-ylcarbamate
CID 174779366
4-[methyl(quinazolin-4-yl)amino]butan-2-ol
CID 115658266
N-phenyl-N-propan-2-yl-2-quinazolin-4-ylsulfanylacetamide
CID 2371257
N-(3-bromopropyl)-N-propan-2-ylquinazolin-4-amine
CID 80674456
ethyl 2-[methyl(quinazolin-4-yl)amino]acetate
CID 62006339
N-hydroxy-4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]benzamide
CID 122550258

Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)-1-quinazolin-4-ylurea?
The IUPAC name of 1,3-di(propan-2-yl)-1-quinazolin-4-ylurea (CID 122214994) is 1,3-di(propan-2-yl)-1-quinazolin-4-ylurea.
What is the SMILES notation for 1,3-di(propan-2-yl)-1-quinazolin-4-ylurea?
The canonical SMILES for 1,3-di(propan-2-yl)-1-quinazolin-4-ylurea is CC(C)NC(=O)N(c1ncnc2ccccc12)C(C)C.
What is the InChIKey of 1,3-di(propan-2-yl)-1-quinazolin-4-ylurea?
The InChIKey is QDLLILDRHUSZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(2)18-15(20)19(11(3)4)14-12-7-5-6-8-13(12)16-9-17-14/h5-11H,1-4H3,(H,18,20).
What are the key properties of 1,3-di(propan-2-yl)-1-quinazolin-4-ylurea?
1,3-di(propan-2-yl)-1-quinazolin-4-ylurea has a molecular weight of 272.35 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)-1-quinazolin-4-ylurea is sourced from PubChem (CID 122214994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).