4-(2-methoxyphenyl)-6-[3-(sulfamoylamino)anilino]pyrimidine

C17H17N5O3S — CID 86580301

IUPAC4-(2-methoxyphenyl)-6-[3-(sulfamoylamino)anilino]pyrimidine
SMILESCOc1ccccc1-c1cc(Nc2cccc(NS(N)(=O)=O)c2)ncn1
InChIInChI=1S/C17H17N5O3S/c1-25-16-8-3-2-7-14(16)15-10-17(20-11-19-15)21-12-5-4-6-13(9-12)22-26(18,23)24/h2-11,22H,1H3,(H2,18,23,24)(H,19,20,21)
InChIKeyCLNKTAGHOZUCSU-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.51
Rot. Bonds6

About 4-(2-methoxyphenyl)-6-[3-(sulfamoylamino)anilino]pyrimidine

4-(2-methoxyphenyl)-6-[3-(sulfamoylamino)anilino]pyrimidine (PubChem CID 86580301) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-6-[3-(sulfamoylamino)anilino]pyrimidine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-6-[3-(sulfamoylamino)anilino]pyrimidine
PubChem CID86580301
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name4-(2-methoxyphenyl)-6-[3-(sulfamoylamino)anilino]pyrimidine
SMILESCOc1ccccc1-c1cc(Nc2cccc(NS(N)(=O)=O)c2)ncn1
InChIInChI=1S/C17H17N5O3S/c1-25-16-8-3-2-7-14(16)15-10-17(20-11-19-15)21-12-5-4-6-13(9-12)22-26(18,23)24/h2-11,22H,1H3,(H2,18,23,24)(H,19,20,21)
InChIKeyCLNKTAGHOZUCSU-UHFFFAOYSA-N
XLogP2.51
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3-{[6-(2-Methoxyphenyl)pyrimidin-4-yl]amino}phenyl)methanesulfonamide
CID 25104564
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 20855152
N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
N-(3-methoxyphenyl)quinazolin-4-amine
CID 712193
7-methoxy-N-phenylquinazolin-4-amine
CID 5328190
N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl)phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine
CID 154815704
6-(2-Methoxyphenyl)-N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]pyrimidine-2,4-Diamine
CID 124220260
N-benzyl-5-methoxyquinazolin-4-amine
CID 5328026
5-(Aminomethyl)-6-(2-methoxyphenyl)-2-phenylpyrimidin-4-amine
CID 10236557
6-(4-Methoxyphenyl)-N~4~-Octylpyrimidine-2,4-Diamine
CID 75815438
N-(4-methoxyphenyl)-N'-phenylpyrimidine-4,6-diamine
CID 22432844

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-6-[3-(sulfamoylamino)anilino]pyrimidine?
The IUPAC name of 4-(2-methoxyphenyl)-6-[3-(sulfamoylamino)anilino]pyrimidine (CID 86580301) is 4-(2-methoxyphenyl)-6-[3-(sulfamoylamino)anilino]pyrimidine.
What is the SMILES notation for 4-(2-methoxyphenyl)-6-[3-(sulfamoylamino)anilino]pyrimidine?
The canonical SMILES for 4-(2-methoxyphenyl)-6-[3-(sulfamoylamino)anilino]pyrimidine is COc1ccccc1-c1cc(Nc2cccc(NS(N)(=O)=O)c2)ncn1.
What is the InChIKey of 4-(2-methoxyphenyl)-6-[3-(sulfamoylamino)anilino]pyrimidine?
The InChIKey is CLNKTAGHOZUCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-25-16-8-3-2-7-14(16)15-10-17(20-11-19-15)21-12-5-4-6-13(9-12)22-26(18,23)24/h2-11,22H,1H3,(H2,18,23,24)(H,19,20,21).
What are the key properties of 4-(2-methoxyphenyl)-6-[3-(sulfamoylamino)anilino]pyrimidine?
4-(2-methoxyphenyl)-6-[3-(sulfamoylamino)anilino]pyrimidine has a molecular weight of 371.42 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-6-[3-(sulfamoylamino)anilino]pyrimidine is sourced from PubChem (CID 86580301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).