5-chloro-N-[4-(cyclopropylsulfonimidoyl)-2-methoxyphenyl]-4-quinazolin-4-ylpyrimidin-2-amine

C22H19ClN6O2S — CID 156804735

IUPAC5-chloro-N-[4-(cyclopropylsulfonimidoyl)-2-methoxyphenyl]-4-quinazolin-4-ylpyrimidin-2-amine
SMILES[H]N=S(=O)(c1ccc(Nc2ncc(Cl)c(-c3ncnc4ccccc34)n2)c(OC)c1)C1CC1
InChIInChI=1S/C22H19ClN6O2S/c1-31-19-10-14(32(24,30)13-6-7-13)8-9-18(19)28-22-25-11-16(23)21(29-22)20-15-4-2-3-5-17(15)26-12-27-20/h2-5,8-13,24H,6-7H2,1H3,(H,25,28,29)
InChIKeyNENQSRQDEFLYNL-UHFFFAOYSA-N
MW466.95 g/mol
LogP5.06
Rot. Bonds6

About 5-chloro-N-[4-(cyclopropylsulfonimidoyl)-2-methoxyphenyl]-4-quinazolin-4-ylpyrimidin-2-amine

5-chloro-N-[4-(cyclopropylsulfonimidoyl)-2-methoxyphenyl]-4-quinazolin-4-ylpyrimidin-2-amine (PubChem CID 156804735) has the molecular formula C22H19ClN6O2S and a molecular weight of 466.95 g/mol. Its IUPAC name is 5-chloro-N-[4-(cyclopropylsulfonimidoyl)-2-methoxyphenyl]-4-quinazolin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[4-(cyclopropylsulfonimidoyl)-2-methoxyphenyl]-4-quinazolin-4-ylpyrimidin-2-amine
PubChem CID156804735
Molecular FormulaC22H19ClN6O2S
Molecular Weight466.95 g/mol
Exact Mass466.10
IUPAC Name5-chloro-N-[4-(cyclopropylsulfonimidoyl)-2-methoxyphenyl]-4-quinazolin-4-ylpyrimidin-2-amine
SMILES[H]N=S(=O)(c1ccc(Nc2ncc(Cl)c(-c3ncnc4ccccc34)n2)c(OC)c1)C1CC1
InChIInChI=1S/C22H19ClN6O2S/c1-31-19-10-14(32(24,30)13-6-7-13)8-9-18(19)28-22-25-11-16(23)21(29-22)20-15-4-2-3-5-17(15)26-12-27-20/h2-5,8-13,24H,6-7H2,1H3,(H,25,28,29)
InChIKeyNENQSRQDEFLYNL-UHFFFAOYSA-N
XLogP5.06
TPSA113.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.95
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-chloro-N-[4-(cyclopropylsulfonimidoyl)-2-methoxyphenyl]-4-quinazolin-4-ylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(cyclopropylsulfonimidoyl)-2-methoxyphenyl]-4-(1H-indol-3-yl)-5-methylpyrimidin-2-amine
CID 156576308
5-chloro-N-[2-(cyclopropylmethoxy)-4-(cyclopropylsulfonimidoyl)phenyl]-4-(1H-indol-3-yl)pyrimidin-2-amine
CID 156804695
5-chloro-4-(1H-indol-3-yl)-N-[2-methoxy-4-[4-(methylsulfonimidoyl)piperidin-1-yl]phenyl]pyrimidin-2-amine
CID 156804692
4-[[5-chloro-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-methoxybenzaldehyde
CID 167428511
3-[5-chloro-2-[5-chloro-2-methoxy-4-(4-oxopiperidin-1-yl)anilino]pyrimidin-4-yl]indole-1-sulfonic acid
CID 175162918
5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine
CID 71239282
5-chloro-N-(2-methoxyphenyl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 174053483
5-chloro-N-[5-chloro-4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl]-4-(1-ethylsulfonylindol-3-yl)pyrimidin-2-amine
CID 151002126
3-[5-chloro-2-[5-chloro-2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]indole-1-sulfonic acid;ethane
CID 175360802
[1-[2-chloro-4-[[5-chloro-4-(1-ethylsulfonylindol-3-yl)pyrimidin-2-yl]amino]-5-methoxyphenyl]piperidin-4-yl]methanol
CID 154934195
4-[1-(benzenesulfonyl)indol-3-yl]-5-chloro-N-[2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitrophenyl]pyrimidin-2-amine
CID 71239353
5-chloro-4-(2-methyl-1H-indol-3-yl)-N-[4-(methylsulfonimidoyl)phenyl]pyrimidin-2-amine
CID 156576297

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(cyclopropylsulfonimidoyl)-2-methoxyphenyl]-4-quinazolin-4-ylpyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[4-(cyclopropylsulfonimidoyl)-2-methoxyphenyl]-4-quinazolin-4-ylpyrimidin-2-amine (CID 156804735) is 5-chloro-N-[4-(cyclopropylsulfonimidoyl)-2-methoxyphenyl]-4-quinazolin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[4-(cyclopropylsulfonimidoyl)-2-methoxyphenyl]-4-quinazolin-4-ylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[4-(cyclopropylsulfonimidoyl)-2-methoxyphenyl]-4-quinazolin-4-ylpyrimidin-2-amine is [H]N=S(=O)(c1ccc(Nc2ncc(Cl)c(-c3ncnc4ccccc34)n2)c(OC)c1)C1CC1.
What is the InChIKey of 5-chloro-N-[4-(cyclopropylsulfonimidoyl)-2-methoxyphenyl]-4-quinazolin-4-ylpyrimidin-2-amine?
The InChIKey is NENQSRQDEFLYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O2S/c1-31-19-10-14(32(24,30)13-6-7-13)8-9-18(19)28-22-25-11-16(23)21(29-22)20-15-4-2-3-5-17(15)26-12-27-20/h2-5,8-13,24H,6-7H2,1H3,(H,25,28,29).
What are the key properties of 5-chloro-N-[4-(cyclopropylsulfonimidoyl)-2-methoxyphenyl]-4-quinazolin-4-ylpyrimidin-2-amine?
5-chloro-N-[4-(cyclopropylsulfonimidoyl)-2-methoxyphenyl]-4-quinazolin-4-ylpyrimidin-2-amine has a molecular weight of 466.95 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(cyclopropylsulfonimidoyl)-2-methoxyphenyl]-4-quinazolin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 156804735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).