1-phenyl-1-(7H-purin-6-yl)urea

C12H10N6O — CID 19027373

IUPAC1-phenyl-1-(7H-purin-6-yl)urea
SMILESNC(=O)N(c1ccccc1)c1ncnc2nc[nH]c12
InChIInChI=1S/C12H10N6O/c13-12(19)18(8-4-2-1-3-5-8)11-9-10(15-6-14-9)16-7-17-11/h1-7H,(H2,13,19)(H,14,15,16,17)
InChIKeyNLVCUKSKFDUBST-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.57
Rot. Bonds2

About 1-phenyl-1-(7H-purin-6-yl)urea

1-phenyl-1-(7H-purin-6-yl)urea (PubChem CID 19027373) has the molecular formula C12H10N6O and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-phenyl-1-(7H-purin-6-yl)urea.

Molecular Properties

Compound Name1-phenyl-1-(7H-purin-6-yl)urea
PubChem CID19027373
Molecular FormulaC12H10N6O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC Name1-phenyl-1-(7H-purin-6-yl)urea
SMILESNC(=O)N(c1ccccc1)c1ncnc2nc[nH]c12
InChIInChI=1S/C12H10N6O/c13-12(19)18(8-4-2-1-3-5-8)11-9-10(15-6-14-9)16-7-17-11/h1-7H,(H2,13,19)(H,14,15,16,17)
InChIKeyNLVCUKSKFDUBST-UHFFFAOYSA-N
XLogP1.57
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzamide;7H-purin-6-amine
CID 66705736
1,1-diphenylurea
CID 174849888
7H-purin-6-ylmethyl benzoate
CID 11288261
N'-benzyl-N'-(7H-purin-6-yl)ethane-1,2-diamine
CID 61013592
4-[methyl(7H-purin-6-yl)amino]oxolane-3-carboxylic acid
CID 66237387
N,N-bis(trimethylsilyl)-7H-purin-6-amine
CID 19910051
1H-benzimidazol-4-ylurea;1,1-diphenylurea
CID 174558316
N,N-bis(methylamino)-7H-purin-6-amine
CID 66676633
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone;dihydrochloride
CID 120749357
3-[methyl-[2-[methyl(7H-purin-6-yl)amino]acetyl]amino]propanoic acid
CID 119362648
N-(2-benzylsulfanylethyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 51113708
N-[2-(aminomethyl)-6-[N-(7H-purin-6-yl)anilino]phenyl]propane-1-sulfonamide
CID 174729007

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-(7H-purin-6-yl)urea?
The IUPAC name of 1-phenyl-1-(7H-purin-6-yl)urea (CID 19027373) is 1-phenyl-1-(7H-purin-6-yl)urea.
What is the SMILES notation for 1-phenyl-1-(7H-purin-6-yl)urea?
The canonical SMILES for 1-phenyl-1-(7H-purin-6-yl)urea is NC(=O)N(c1ccccc1)c1ncnc2nc[nH]c12.
What is the InChIKey of 1-phenyl-1-(7H-purin-6-yl)urea?
The InChIKey is NLVCUKSKFDUBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O/c13-12(19)18(8-4-2-1-3-5-8)11-9-10(15-6-14-9)16-7-17-11/h1-7H,(H2,13,19)(H,14,15,16,17).
What are the key properties of 1-phenyl-1-(7H-purin-6-yl)urea?
1-phenyl-1-(7H-purin-6-yl)urea has a molecular weight of 254.25 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-(7H-purin-6-yl)urea is sourced from PubChem (CID 19027373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).