7-(benzenesulfonyl)-4-phenylmethoxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine

C19H16N4O3S — CID 118610552

IUPAC7-(benzenesulfonyl)-4-phenylmethoxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESNc1[nH]c2c(OCc3ccccc3)ncnc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H16N4O3S/c20-18-17(27(24,25)14-9-5-2-6-10-14)15-16(23-18)19(22-12-21-15)26-11-13-7-3-1-4-8-13/h1-10,12,23H,11,20H2
InChIKeyMTTKTFHNSDKTLP-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.95
Rot. Bonds5

About 7-(benzenesulfonyl)-4-phenylmethoxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine

7-(benzenesulfonyl)-4-phenylmethoxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine (PubChem CID 118610552) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-4-phenylmethoxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine.

Molecular Properties

Compound Name7-(benzenesulfonyl)-4-phenylmethoxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine
PubChem CID118610552
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name7-(benzenesulfonyl)-4-phenylmethoxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESNc1[nH]c2c(OCc3ccccc3)ncnc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H16N4O3S/c20-18-17(27(24,25)14-9-5-2-6-10-14)15-16(23-18)19(22-12-21-15)26-11-13-7-3-1-4-8-13/h1-10,12,23H,11,20H2
InChIKeyMTTKTFHNSDKTLP-UHFFFAOYSA-N
XLogP2.95
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

O6-Cyclohexylmethoxy-2-(4'-sulphamoylanilino) purine
CID 4566
3-(6-Cyclohexylmethoxy-9H-purin-2-ylamino)-benzenesulfonamide
CID 447655
3-({2-[(4-{[6-(Cyclohexylmethoxy)-9H-purin-2-YL]amino}phenyl)sulfonyl]ethyl}amino)propan-1-OL
CID 6852201
O6-Cyclohexylmethylguanine deriv. 28
CID 5329562
O6-Cyclohexylmethylguanine deriv. 29
CID 5329563
6-(cyclohexylmethoxy)-N-(4-methylsulfonylphenyl)-7H-purin-2-amine
CID 5329564
O6-Cyclohexylmethylguanine deriv. 31
CID 5329565
O6-Cyclohexylmethylguanine deriv. 32
CID 5329566
6-(Cyclohexylmethoxy)-N-[4-(Ethylsulfonyl)phenyl]-9h-Purin-2-Amine
CID 86280666
O6-Cyclohexylmethylguanine deriv. 22
CID 5329557
3-[2-Amino-6-(Cyclohexylmethoxy)-7h-Purin-8-Yl]benzenesulfonamide
CID 76324893
6-(cyclohexylmethoxy)-N-(4-ethenylsulfonylphenyl)-7H-purin-2-amine
CID 118704754

Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-4-phenylmethoxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The IUPAC name of 7-(benzenesulfonyl)-4-phenylmethoxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine (CID 118610552) is 7-(benzenesulfonyl)-4-phenylmethoxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine.
What is the SMILES notation for 7-(benzenesulfonyl)-4-phenylmethoxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The canonical SMILES for 7-(benzenesulfonyl)-4-phenylmethoxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine is Nc1[nH]c2c(OCc3ccccc3)ncnc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 7-(benzenesulfonyl)-4-phenylmethoxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The InChIKey is MTTKTFHNSDKTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c20-18-17(27(24,25)14-9-5-2-6-10-14)15-16(23-18)19(22-12-21-15)26-11-13-7-3-1-4-8-13/h1-10,12,23H,11,20H2.
What are the key properties of 7-(benzenesulfonyl)-4-phenylmethoxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
7-(benzenesulfonyl)-4-phenylmethoxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine has a molecular weight of 380.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-4-phenylmethoxy-5H-pyrrolo[3,2-d]pyrimidin-6-amine is sourced from PubChem (CID 118610552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).